5-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide

C17H17N3OS — CID 35277254

IUPAC5-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3ccc(C)s3)cn2)cc1
InChIInChI=1S/C17H17N3OS/c1-12-3-6-14(7-4-12)10-20-11-15(9-18-20)19-17(21)16-8-5-13(2)22-16/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyOKZVNULGNHVRTC-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.86
Rot. Bonds4

About 5-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide

5-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 35277254) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 5-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
PubChem CID35277254
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name5-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3ccc(C)s3)cn2)cc1
InChIInChI=1S/C17H17N3OS/c1-12-3-6-14(7-4-12)10-20-11-15(9-18-20)19-17(21)16-8-5-13(2)22-16/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyOKZVNULGNHVRTC-UHFFFAOYSA-N
XLogP3.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401906
2,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401831
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 19400039
4-ethoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19400060
4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide
CID 35529894
4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19401719
4-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19503362
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19407730
4-[(4-fluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19469491
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-dimethylbenzamide
CID 19404033
2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401842
5-[(1-ethylpyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid
CID 43429906

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide (CID 35277254) is 5-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide is Cc1ccc(Cn2cc(NC(=O)c3ccc(C)s3)cn2)cc1.
What is the InChIKey of 5-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?
The InChIKey is OKZVNULGNHVRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-12-3-6-14(7-4-12)10-20-11-15(9-18-20)19-17(21)16-8-5-13(2)22-16/h3-9,11H,10H2,1-2H3,(H,19,21).
What are the key properties of 5-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?
5-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 35277254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).