N-(3-acetamidophenyl)-5-methyl-1H-pyrazole-3-carboxamide

C13H14N4O2 — CID 47292628

IUPACN-(3-acetamidophenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(C)[nH]n2)c1
InChIInChI=1S/C13H14N4O2/c1-8-6-12(17-16-8)13(19)15-11-5-3-4-10(7-11)14-9(2)18/h3-7H,1-2H3,(H,14,18)(H,15,19)(H,16,17)
InChIKeyQFGGTTLLPWXUGU-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.93
Rot. Bonds3

About N-(3-acetamidophenyl)-5-methyl-1H-pyrazole-3-carboxamide

N-(3-acetamidophenyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 47292628) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID47292628
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-(3-acetamidophenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(C)[nH]n2)c1
InChIInChI=1S/C13H14N4O2/c1-8-6-12(17-16-8)13(19)15-11-5-3-4-10(7-11)14-9(2)18/h3-7H,1-2H3,(H,14,18)(H,15,19)(H,16,17)
InChIKeyQFGGTTLLPWXUGU-UHFFFAOYSA-N
XLogP1.93
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 36709127
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CID 110484314
(E)-3-[3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115339104
N-(3,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20865072
N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110861303
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
N-(3-hydroxy-2-pyridinyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47293208
5-methyl-N-(3-methyl-2-pyridinyl)-1H-pyrazole-3-carboxamide
CID 47293177
N-(3-bromophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741020
N-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20865070
N-(3-acetamidophenyl)-1H-indazole-3-carboxamide
CID 9114494
5-methyl-N-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazole-3-carboxamide
CID 47470885

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 47292628) is N-(3-acetamidophenyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-5-methyl-1H-pyrazole-3-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cc(C)[nH]n2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is QFGGTTLLPWXUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-6-12(17-16-8)13(19)15-11-5-3-4-10(7-11)14-9(2)18/h3-7H,1-2H3,(H,14,18)(H,15,19)(H,16,17).
What are the key properties of N-(3-acetamidophenyl)-5-methyl-1H-pyrazole-3-carboxamide?
N-(3-acetamidophenyl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47292628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).