N-[(4-acetamidophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide

C14H16N4O2 — CID 61066667

IUPACN-[(4-acetamidophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc(CNC(=O)c2cn[nH]c2C)cc1
InChIInChI=1S/C14H16N4O2/c1-9-13(8-16-18-9)14(20)15-7-11-3-5-12(6-4-11)17-10(2)19/h3-6,8H,7H2,1-2H3,(H,15,20)(H,16,18)(H,17,19)
InChIKeyMHRRPBBMCVUFHX-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.61
Rot. Bonds4

About N-[(4-acetamidophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide

N-[(4-acetamidophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 61066667) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID61066667
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[(4-acetamidophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc(CNC(=O)c2cn[nH]c2C)cc1
InChIInChI=1S/C14H16N4O2/c1-9-13(8-16-18-9)14(20)15-7-11-3-5-12(6-4-11)17-10(2)19/h3-6,8H,7H2,1-2H3,(H,15,20)(H,16,18)(H,17,19)
InChIKeyMHRRPBBMCVUFHX-UHFFFAOYSA-N
XLogP1.61
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(4-acetamidophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazole-4-carboxamide
CID 106910470
5-methyl-N-[4-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 106910350
N-[(4-acetamidophenyl)methyl]-4-amino-5-methyl-1H-pyrazole-3-carboxamide
CID 62081238
N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 62734214
N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757361
N-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998428
5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-carboxamide
CID 82873476
N-[(4-acetamidophenyl)methyl]-2-bromofuran-3-carboxamide
CID 106852888
N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide
CID 18154228
5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824428
N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide
CID 18153850
N-[(4-acetamidophenyl)methyl]-2-(4-fluoroanilino)benzamide
CID 18153818

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 61066667) is N-[(4-acetamidophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide is CC(=O)Nc1ccc(CNC(=O)c2cn[nH]c2C)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is MHRRPBBMCVUFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-13(8-16-18-9)14(20)15-7-11-3-5-12(6-4-11)17-10(2)19/h3-6,8H,7H2,1-2H3,(H,15,20)(H,16,18)(H,17,19).
What are the key properties of N-[(4-acetamidophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[(4-acetamidophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61066667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).