4-methyl-2-[[2-(3-methylpyrazol-1-yl)acetyl]amino]benzamide

C14H16N4O2 — CID 166326474

IUPAC4-methyl-2-[[2-(3-methylpyrazol-1-yl)acetyl]amino]benzamide
SMILESCc1ccc(C(N)=O)c(NC(=O)Cn2ccc(C)n2)c1
InChIInChI=1S/C14H16N4O2/c1-9-3-4-11(14(15)20)12(7-9)16-13(19)8-18-6-5-10(2)17-18/h3-7H,8H2,1-2H3,(H2,15,20)(H,16,19)
InChIKeyHHMDVJQLUKQFRU-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.24
Rot. Bonds4

About 4-methyl-2-[[2-(3-methylpyrazol-1-yl)acetyl]amino]benzamide

4-methyl-2-[[2-(3-methylpyrazol-1-yl)acetyl]amino]benzamide (PubChem CID 166326474) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-methyl-2-[[2-(3-methylpyrazol-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-methyl-2-[[2-(3-methylpyrazol-1-yl)acetyl]amino]benzamide
PubChem CID166326474
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-methyl-2-[[2-(3-methylpyrazol-1-yl)acetyl]amino]benzamide
SMILESCc1ccc(C(N)=O)c(NC(=O)Cn2ccc(C)n2)c1
InChIInChI=1S/C14H16N4O2/c1-9-3-4-11(14(15)20)12(7-9)16-13(19)8-18-6-5-10(2)17-18/h3-7H,8H2,1-2H3,(H2,15,20)(H,16,19)
InChIKeyHHMDVJQLUKQFRU-UHFFFAOYSA-N
XLogP1.24
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 62102678
1-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 44824027
2-(3-methylpyrazol-1-yl)-N-pyridin-4-ylacetamide
CID 19516801
1-(3-methylphenyl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thiourea
CID 842890
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19517063
N-(2-methoxy-4-nitrophenyl)-2-(3-methylpyrazol-1-yl)acetamide
CID 19516847
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19401688
2-[4-(aminomethyl)triazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 62053635
N-(4-methyl-2-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555752
N-(2,5-dimethylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526490
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide
CID 110690082
N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19516870

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-(3-methylpyrazol-1-yl)acetyl]amino]benzamide?
The IUPAC name of 4-methyl-2-[[2-(3-methylpyrazol-1-yl)acetyl]amino]benzamide (CID 166326474) is 4-methyl-2-[[2-(3-methylpyrazol-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for 4-methyl-2-[[2-(3-methylpyrazol-1-yl)acetyl]amino]benzamide?
The canonical SMILES for 4-methyl-2-[[2-(3-methylpyrazol-1-yl)acetyl]amino]benzamide is Cc1ccc(C(N)=O)c(NC(=O)Cn2ccc(C)n2)c1.
What is the InChIKey of 4-methyl-2-[[2-(3-methylpyrazol-1-yl)acetyl]amino]benzamide?
The InChIKey is HHMDVJQLUKQFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-3-4-11(14(15)20)12(7-9)16-13(19)8-18-6-5-10(2)17-18/h3-7H,8H2,1-2H3,(H2,15,20)(H,16,19).
What are the key properties of 4-methyl-2-[[2-(3-methylpyrazol-1-yl)acetyl]amino]benzamide?
4-methyl-2-[[2-(3-methylpyrazol-1-yl)acetyl]amino]benzamide has a molecular weight of 272.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-(3-methylpyrazol-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 166326474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).