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

C16H15N3OS — CID 52553185

IUPAC5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)s1
InChIInChI=1S/C16H15N3OS/c1-12-7-8-15(21-12)16(20)17-9-13-10-18-19(11-13)14-5-3-2-4-6-14/h2-8,10-11H,9H2,1H3,(H,17,20)
InChIKeyACDSJJXQROLWJQ-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.17
Rot. Bonds4

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

5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 52553185) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
PubChem CID52553185
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)s1
InChIInChI=1S/C16H15N3OS/c1-12-7-8-15(21-12)16(20)17-9-13-10-18-19(11-13)14-5-3-2-4-6-14/h2-8,10-11H,9H2,1H3,(H,17,20)
InChIKeyACDSJJXQROLWJQ-UHFFFAOYSA-N
XLogP3.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 17449715
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
2-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 111898501
2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 42044485
3-methyl-5-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]-1,2-thiazole-4-carboxamide
CID 42044523
2,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 134035985
5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 31111062
2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 134036061
N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 17483211
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 86968538
2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide
CID 106685695
2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 55996337

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide (CID 52553185) is 5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)s1.
What is the InChIKey of 5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is ACDSJJXQROLWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-12-7-8-15(21-12)16(20)17-9-13-10-18-19(11-13)14-5-3-2-4-6-14/h2-8,10-11H,9H2,1H3,(H,17,20).
What are the key properties of 5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.17, 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-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 52553185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).