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N-(4-acetylphenyl)-1H-pyrazole-3-carboxamide

N-(4-acetylphenyl)-1H-pyrazole-3-carboxamide

CAS: 305346-13-8

Formula: C12H11N3O2

SMILES: CC(=O)C1=CC=C(NC(=O)C2=NNC=C2)C=C1

IUPAC: N-(4-acetylphenyl)-1H-pyrazole-3-carboxamide

InChI: InChI=1S/C12H11N3O2/c1-8(16)9-2-4-10(5-3-9)14-12(17)11-6-7-13-15-11/h2-7H,1H3,(H,13,15)(H,14,17)

Composition: C (62.87%), H (4.84%), N (18.33%), O (13.96%)

Molar Mass: 229.239

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 229.085126606
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey PYPWTMLSTCMTBH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.31
Topological Polar Surface Area 74.85
Polarizability 23.51
Ring Count 2
Rotatable Bond Count 3

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97% <5 Days 305346-13-8 $32.79-$139.97$32.79$54.22$139.97
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