3-(2-methylphenyl)-1-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide

C19H15N5OS — CID 29369411

IUPAC3-(2-methylphenyl)-1-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1nncs1
InChIInChI=1S/C19H15N5OS/c1-13-7-5-6-10-15(13)17-16(18(25)21-19-22-20-12-26-19)11-24(23-17)14-8-3-2-4-9-14/h2-12H,1H3,(H,21,22,25)
InChIKeyXSGGQUIGUFFGJD-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.95
Rot. Bonds4

About 3-(2-methylphenyl)-1-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide

3-(2-methylphenyl)-1-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 29369411) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-1-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
PubChem CID29369411
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC Name3-(2-methylphenyl)-1-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1nncs1
InChIInChI=1S/C19H15N5OS/c1-13-7-5-6-10-15(13)17-16(18(25)21-19-22-20-12-26-19)11-24(23-17)14-8-3-2-4-9-14/h2-12H,1H3,(H,21,22,25)
InChIKeyXSGGQUIGUFFGJD-UHFFFAOYSA-N
XLogP3.95
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylphenyl)-3-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 29369468
3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-phenylpyrazole-4-carboxamide
CID 26698161
N-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 51548267
N'-(2,5-dimethylfuran-3-carbonyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 26247359
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 41118334
N-[2-(aminomethyl)cyclopentyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 119601097
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 112824078
N-[2-(aminomethyl)cyclopentyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119601096
3-(2-methylphenyl)-1-phenyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide
CID 146089712
N-[3-(2-ethoxyethoxymethyl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 55806762
N-(4-carbamoyl-3-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 56518325
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 139226266

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-1-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-(2-methylphenyl)-1-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide (CID 29369411) is 3-(2-methylphenyl)-1-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(2-methylphenyl)-1-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(2-methylphenyl)-1-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide is Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1nncs1.
What is the InChIKey of 3-(2-methylphenyl)-1-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is XSGGQUIGUFFGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c1-13-7-5-6-10-15(13)17-16(18(25)21-19-22-20-12-26-19)11-24(23-17)14-8-3-2-4-9-14/h2-12H,1H3,(H,21,22,25).
What are the key properties of 3-(2-methylphenyl)-1-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?
3-(2-methylphenyl)-1-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-1-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 29369411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).