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1397187-17-5 | 1H-Pyrazole-3-carboxamide, 5-(3-chlorophenyl)-
CAS No: 1397187-17-5 Catalog No: AG001BJF MDL No:
Product Description
Catalog Number:
AG001BJF
Chemical Name:
1H-Pyrazole-3-carboxamide, 5-(3-chlorophenyl)-
CAS Number:
1397187-17-5
Molecular Formula:
C10H8ClN3O
Molecular Weight:
221.6430
IUPAC Name:
3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
InChI:
InChI=1S/C10H8ClN3O/c11-7-3-1-2-6(4-7)8-5-9(10(12)15)14-13-8/h1-5H,(H2,12,15)(H,13,14)
InChI Key:
GRLDUFMWSZYNSH-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1[nH]nc(c1)C(=O)N
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.644g/mol
Monoisotopic Mass:
221.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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