3-methyl-N-phenyl-2-pyrazol-1-ylbenzamide

C17H15N3O — CID 122380402

IUPAC3-methyl-N-phenyl-2-pyrazol-1-ylbenzamide
SMILESCc1cccc(C(=O)Nc2ccccc2)c1-n1cccn1
InChIInChI=1S/C17H15N3O/c1-13-7-5-10-15(16(13)20-12-6-11-18-20)17(21)19-14-8-3-2-4-9-14/h2-12H,1H3,(H,19,21)
InChIKeySXKSVWKBTYWHIY-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.43
Rot. Bonds3

About 3-methyl-N-phenyl-2-pyrazol-1-ylbenzamide

3-methyl-N-phenyl-2-pyrazol-1-ylbenzamide (PubChem CID 122380402) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-methyl-N-phenyl-2-pyrazol-1-ylbenzamide.

Molecular Properties

Compound Name3-methyl-N-phenyl-2-pyrazol-1-ylbenzamide
PubChem CID122380402
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3-methyl-N-phenyl-2-pyrazol-1-ylbenzamide
SMILESCc1cccc(C(=O)Nc2ccccc2)c1-n1cccn1
InChIInChI=1S/C17H15N3O/c1-13-7-5-10-15(16(13)20-12-6-11-18-20)17(21)19-14-8-3-2-4-9-14/h2-12H,1H3,(H,19,21)
InChIKeySXKSVWKBTYWHIY-UHFFFAOYSA-N
XLogP3.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-3-methyl-2-pyrazol-1-ylbenzamide
CID 122380407
2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958661
methyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate
CID 86991803
N-[3-[(2-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-4-carboxamide
CID 167847500
2-chloro-N-[1-(2,6-dimethylphenyl)pyrazol-3-yl]benzamide
CID 90096262
2,3-dimethyl-N-pyridin-4-ylbenzamide
CID 27700072
2-hydroxy-N-phenylbenzamide chloride
CID 19021936
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
2-methylbenzene-1,3-dicarboxylic acid;1-phenylpyrazole
CID 175305227
methyl 3-(3-methyl-2-pyrazol-1-ylphenyl)propanoate
CID 177457386
2-(2-methylanilino)-N-phenylpyridine-3-carboxamide
CID 23632378
2-iodo-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 121072850

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-phenyl-2-pyrazol-1-ylbenzamide?
The IUPAC name of 3-methyl-N-phenyl-2-pyrazol-1-ylbenzamide (CID 122380402) is 3-methyl-N-phenyl-2-pyrazol-1-ylbenzamide.
What is the SMILES notation for 3-methyl-N-phenyl-2-pyrazol-1-ylbenzamide?
The canonical SMILES for 3-methyl-N-phenyl-2-pyrazol-1-ylbenzamide is Cc1cccc(C(=O)Nc2ccccc2)c1-n1cccn1.
What is the InChIKey of 3-methyl-N-phenyl-2-pyrazol-1-ylbenzamide?
The InChIKey is SXKSVWKBTYWHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-13-7-5-10-15(16(13)20-12-6-11-18-20)17(21)19-14-8-3-2-4-9-14/h2-12H,1H3,(H,19,21).
What are the key properties of 3-methyl-N-phenyl-2-pyrazol-1-ylbenzamide?
3-methyl-N-phenyl-2-pyrazol-1-ylbenzamide has a molecular weight of 277.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-phenyl-2-pyrazol-1-ylbenzamide is sourced from PubChem (CID 122380402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).