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3524-29-6 | 1-(4-ISOPROPYLBENZYL)-1H-PYRAZOL-5-AMINE
CAS No: 3524-29-6 Catalog No: AG00C6UA MDL No:MFCD06655773
Product Description
Catalog Number:
AG00C6UA
Chemical Name:
1-(4-ISOPROPYLBENZYL)-1H-PYRAZOL-5-AMINE
CAS Number:
3524-29-6
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
MDL Number:
MFCD06655773
IUPAC Name:
2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-amine
InChI:
InChI=1S/C13H17N3/c1-10(2)12-5-3-11(4-6-12)9-16-13(14)7-8-15-16/h3-8,10H,9,14H2,1-2H3
InChI Key:
YXUMURJAITZODM-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)Cn1nccc1N)C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.3g/mol
Monoisotopic Mass:
215.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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