N-(4-acetylphenyl)-1H-pyrazole-5-carboxamide

C12H11N3O2 — CID 3241848

IUPACN-(4-acetylphenyl)-1H-pyrazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccn[nH]2)cc1
InChIInChI=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)
InChIKeyPYPWTMLSTCMTBH-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.86
Rot. Bonds3

About N-(4-acetylphenyl)-1H-pyrazole-5-carboxamide

N-(4-acetylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 3241848) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID3241848
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC NameN-(4-acetylphenyl)-1H-pyrazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccn[nH]2)cc1
InChIInChI=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)
InChIKeyPYPWTMLSTCMTBH-UHFFFAOYSA-N
XLogP1.86
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1H-pyrazole-5-carboxamide (CID 3241848) is N-(4-acetylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1H-pyrazole-5-carboxamide is CC(=O)c1ccc(NC(=O)c2ccn[nH]2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is PYPWTMLSTCMTBH-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of N-(4-acetylphenyl)-1H-pyrazole-5-carboxamide?
N-(4-acetylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 3241848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).