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35344-95-7 | 1h-pyrazole-4-carboxaldehyde
CAS No: 35344-95-7 Catalog No: AG0035UR MDL No:MFCD02179514
Product Description
Catalog Number:
AG0035UR
Chemical Name:
1h-pyrazole-4-carboxaldehyde
CAS Number:
35344-95-7
Molecular Formula:
C4H4N2O
Molecular Weight:
96.0874
MDL Number:
MFCD02179514
IUPAC Name:
1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C4H4N2O/c7-3-4-1-5-6-2-4/h1-3H,(H,5,6)
InChI Key:
LRGBDJBDJXZTTD-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]nc1
Properties
Complexity:
74.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.032g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
96.089g/mol
Monoisotopic Mass:
96.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
Literature
| Title | Journal |
|---|---|
| 2-[5-Methyl-2-(propan-2-yl)phen-oxy]-N'-{2-[5-methyl-2-(propan-2-yl)phen-oxy]acet-yl}acetohydrazide. | Acta crystallographica. Section E, Structure reports online 20110901 |
| Synthesis and biological evaluation of some 4-functionalized-pyrazoles as antimicrobial agents. | European journal of medicinal chemistry 20110401 |
| 1-Methyl-5-phen-oxy-3-trifluoro-methyl-1H-pyrazole-4-carbaldehyde oxime. | Acta crystallographica. Section E, Structure reports online 20110401 |
| (E)-1-Methyl-5-(3-methyl-4-chloro-phen-oxy)-3-trifluoro-meth-yl-1H-pyrazole-4-carbaldehyde O-acetyl-oxime. | Acta crystallographica. Section E, Structure reports online 20110301 |
| (E)-3-Methyl-5-(4-methyl-phen-oxy)-1-phenyl-1H-pyrazole-4-carbaldehyde O-[(2-chloro-1,3-thia-zol-5-yl)meth-yl]oxime. | Acta crystallographica. Section E, Structure reports online 20110301 |
| N'-[(Z)-4-Methyl-benzyl-idene]-4-nitro-benzohydrazide monohydrate. | Acta crystallographica. Section E, Structure reports online 20081201 |
| N'-[(E)-1-Phenyl-ethyl-idene]benzo-hydrazide. | Acta crystallographica. Section E, Structure reports online 20081001 |
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