5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide

C17H17N3OS — CID 2414907

IUPAC5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C17H17N3OS/c1-11-4-7-14(8-5-11)20-16(10-12(2)19-20)18-17(21)15-9-6-13(3)22-15/h4-10H,1-3H3,(H,18,21)
InChIKeyPWDTXAVYMHNRCQ-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.11
Rot. Bonds3

About 5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide

5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 2414907) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID2414907
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C17H17N3OS/c1-11-4-7-14(8-5-11)20-16(10-12(2)19-20)18-17(21)15-9-6-13(3)22-15/h4-10H,1-3H3,(H,18,21)
InChIKeyPWDTXAVYMHNRCQ-UHFFFAOYSA-N
XLogP4.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thiophene-2-carboxylic acid (2,5-diphenyl-2H-pyrazol-3-yl)-amide
CID 11152155
N-(1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-2-(methylthio)benzamide
CID 135551751
2-(thiophen-2-yl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135939587
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methylsulfanylbenzamide
CID 156208585
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
CID 732509
4-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2117827
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 2669841
N-[2-[[1-(2-cyanoethyl)-3-phenylpyrazol-5-yl]amino]phenyl]thiophene-2-carboxamide
CID 2997935
N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
CID 3235680
N-(2-(2,4-dimethylphenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)thiophene-2-carboxamide
CID 5070030
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-(methylsulfonyl)benzamide
CID 25102663
N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 42733092

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide (CID 2414907) is 5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide is Cc1ccc(-n2nc(C)cc2NC(=O)c2ccc(C)s2)cc1.
What is the InChIKey of 5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is PWDTXAVYMHNRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-11-4-7-14(8-5-11)20-16(10-12(2)19-20)18-17(21)15-9-6-13(3)22-15/h4-10H,1-3H3,(H,18,21).
What are the key properties of 5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide?
5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 2414907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).