N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1,2,4-triazol-1-yl)benzamide

C20H18N6O — CID 134707784

IUPACN-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1,2,4-triazol-1-yl)benzamide
SMILESCc1nn(C)c(NC(=O)c2ccccc2-n2cncn2)c1-c1ccccc1
InChIInChI=1S/C20H18N6O/c1-14-18(15-8-4-3-5-9-15)19(25(2)24-14)23-20(27)16-10-6-7-11-17(16)26-13-21-12-22-26/h3-13H,1-2H3,(H,23,27)
InChIKeyLSDMGKXBYPIAOG-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.23
Rot. Bonds4

About N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1,2,4-triazol-1-yl)benzamide

N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1,2,4-triazol-1-yl)benzamide (PubChem CID 134707784) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1,2,4-triazol-1-yl)benzamide
PubChem CID134707784
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC NameN-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1,2,4-triazol-1-yl)benzamide
SMILESCc1nn(C)c(NC(=O)c2ccccc2-n2cncn2)c1-c1ccccc1
InChIInChI=1S/C20H18N6O/c1-14-18(15-8-4-3-5-9-15)19(25(2)24-14)23-20(27)16-10-6-7-11-17(16)26-13-21-12-22-26/h3-13H,1-2H3,(H,23,27)
InChIKeyLSDMGKXBYPIAOG-UHFFFAOYSA-N
XLogP3.23
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)benzamide
CID 134703354
N-(1,3-dimethyl-4-phenylpyrazol-5-yl)acetamide
CID 132538742
2-(1,2,4-triazol-1-yl)benzoic acid;hydrochloride
CID 50853299
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 95525394
4-[(1,3-dimethyl-4-phenylpyrazol-5-yl)amino]-4-oxobutanoic acid
CID 134712423
N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1-methylpiperidin-2-yl)acetamide
CID 134703688
2-oxo-N-[2-(1,2,4-triazol-1-yl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 134004336
N-[2-fluoro-6-(1,2,4-triazol-1-yl)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 166201199
(2S)-2-cyclopropyl-2-[[2-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid
CID 122558428
N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 131899092
2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]quinoline-4-carboxamide
CID 134004270
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 56536132

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1,2,4-triazol-1-yl)benzamide (CID 134707784) is N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1,2,4-triazol-1-yl)benzamide is Cc1nn(C)c(NC(=O)c2ccccc2-n2cncn2)c1-c1ccccc1.
What is the InChIKey of N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is LSDMGKXBYPIAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-14-18(15-8-4-3-5-9-15)19(25(2)24-14)23-20(27)16-10-6-7-11-17(16)26-13-21-12-22-26/h3-13H,1-2H3,(H,23,27).
What are the key properties of N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1,2,4-triazol-1-yl)benzamide?
N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 358.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 134707784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).