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

C19H15N5OS — CID 29369468

IUPAC1-(4-methylphenyl)-3-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)Nc3nncs3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H15N5OS/c1-13-7-9-15(10-8-13)24-11-16(18(25)21-19-22-20-12-26-19)17(23-24)14-5-3-2-4-6-14/h2-12H,1H3,(H,21,22,25)
InChIKeyQAYOWEPBOKIZAJ-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.95
Rot. Bonds4

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

1-(4-methylphenyl)-3-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 29369468) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
PubChem CID29369468
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC Name1-(4-methylphenyl)-3-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)Nc3nncs3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H15N5OS/c1-13-7-9-15(10-8-13)24-11-16(18(25)21-19-22-20-12-26-19)17(23-24)14-5-3-2-4-6-14/h2-12H,1H3,(H,21,22,25)
InChIKeyQAYOWEPBOKIZAJ-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

3-(2-methylphenyl)-1-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 29369411
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 139226266
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 31858323
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19281305
3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2360724
1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide;propanoic acid
CID 175080965
1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 30604207
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 2121252
N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
N-(4-methylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150426452
3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl chloride
CID 12965031

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-3-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide (CID 29369468) is 1-(4-methylphenyl)-3-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-3-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-3-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide is Cc1ccc(-n2cc(C(=O)Nc3nncs3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is QAYOWEPBOKIZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c1-13-7-9-15(10-8-13)24-11-16(18(25)21-19-22-20-12-26-19)17(23-24)14-5-3-2-4-6-14/h2-12H,1H3,(H,21,22,25).
What are the key properties of 1-(4-methylphenyl)-3-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?
1-(4-methylphenyl)-3-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 1-(4-methylphenyl)-3-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 29369468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).