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80568-96-3 | 3-(m-Tolyl)-1H-pyrazole-5-carboxamide
CAS No: 80568-96-3 Catalog No: AG005KF5 MDL No:MFCD02664271
Product Description
Catalog Number:
AG005KF5
Chemical Name:
3-(m-Tolyl)-1H-pyrazole-5-carboxamide
CAS Number:
80568-96-3
Molecular Formula:
C11H11N3O
Molecular Weight:
201.2245
MDL Number:
MFCD02664271
IUPAC Name:
5-(3-methylphenyl)-1H-pyrazol-3-amine
InChI:
InChI=1S/C10H11N3/c1-7-3-2-4-8(5-7)9-6-10(11)13-12-9/h2-6H,1H3,(H3,11,12,13)
InChI Key:
KRRSPSCILJPKSA-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1n[nH]c(c1)C(=O)N
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.219g/mol
Monoisotopic Mass:
173.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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