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416860-45-2 | 5-(2,4-Dimethyl-phenyl)-2H-pyrazol-3-ylamine
CAS No: 416860-45-2 Catalog No: AG01FARW MDL No:
Product Description
Catalog Number:
AG01FARW
Chemical Name:
5-(2,4-Dimethyl-phenyl)-2H-pyrazol-3-ylamine
CAS Number:
416860-45-2
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
IUPAC Name:
5-(2,4-dimethylphenyl)-1H-pyrazol-3-amine
InChI:
InChI=1S/C11H13N3/c1-7-3-4-9(8(2)5-7)10-6-11(12)14-13-10/h3-6H,1-2H3,(H3,12,13,14)
InChI Key:
NMNXDKASRWNTHI-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)c1n[nH]c(c1)N
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.246g/mol
Monoisotopic Mass:
187.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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