N-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide

C13H13N3O2 — CID 63998634

IUPACN-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1cn[nH]c1C
InChIInChI=1S/C13H13N3O2/c1-8-11(7-14-16-8)13(18)15-12-6-4-3-5-10(12)9(2)17/h3-7H,1-2H3,(H,14,16)(H,15,18)
InChIKeyAYCZINNFINRBGN-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.17
Rot. Bonds3

About N-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide

N-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 63998634) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID63998634
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1cn[nH]c1C
InChIInChI=1S/C13H13N3O2/c1-8-11(7-14-16-8)13(18)15-12-6-4-3-5-10(12)9(2)17/h3-7H,1-2H3,(H,14,16)(H,15,18)
InChIKeyAYCZINNFINRBGN-UHFFFAOYSA-N
XLogP2.17
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methoxymethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 63998640
N-[2-(bromomethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 114309775
N-(2-acetylphenyl)-1H-indazole-6-carboxamide
CID 110485418
N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757361
N-(2-acetylphenyl)-2H-triazole-4-carboxamide
CID 78969669
N-(2,6-dibromophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107602580
5-methyl-N-[2-(3-phenylpropoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 50954483
N-(3-iodo-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63997812
5-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)-1H-pyrazole-4-carboxamide
CID 63998437
N-(2-acetylphenyl)-3-hydroxypyridine-4-carboxamide
CID 81446255
5-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide
CID 63998435
N-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103754876

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 63998634) is N-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide is CC(=O)c1ccccc1NC(=O)c1cn[nH]c1C.
What is the InChIKey of N-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is AYCZINNFINRBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-11(7-14-16-8)13(18)15-12-6-4-3-5-10(12)9(2)17/h3-7H,1-2H3,(H,14,16)(H,15,18).
What are the key properties of N-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63998634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).