4-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide

C17H17N3OS — CID 2122224

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCc3cccs3)cc2)n1
InChIInChI=1S/C17H17N3OS/c1-12-10-13(2)20(19-12)15-7-5-14(6-8-15)17(21)18-11-16-4-3-9-22-16/h3-10H,11H2,1-2H3,(H,18,21)
InChIKeyJSNOZSKMDUMRKZ-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.48
Rot. Bonds4

About 4-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 2122224) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID2122224
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCc3cccs3)cc2)n1
InChIInChI=1S/C17H17N3OS/c1-12-10-13(2)20(19-12)15-7-5-14(6-8-15)17(21)18-11-16-4-3-9-22-16/h3-10H,11H2,1-2H3,(H,18,21)
InChIKeyJSNOZSKMDUMRKZ-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazole scaffold, 7d
CID 24893962
Pyrazole scaffold, 7b
CID 25218474
Pyrazole scaffold, 7c
CID 25218475
(S)-1-(5-((2-aminopropanamido)methyl)thiophen-2-yl)-N-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 25218479
N-cyclohexyl-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 651459
N-benzyl-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 680356
N-ethyl-4-(3-methyl-5-phenyl-1H-pyrazol-1-yl)benzamide
CID 826946
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2329736
Pyrazole scaffold, 10b
CID 25218478
phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
3-methyl-N-(3-methylphenyl)-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 755153
N-cyclopropyl-3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide
CID 944105

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide (CID 2122224) is 4-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)NCc3cccs3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is JSNOZSKMDUMRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-12-10-13(2)20(19-12)15-7-5-14(6-8-15)17(21)18-11-16-4-3-9-22-16/h3-10H,11H2,1-2H3,(H,18,21).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 311.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 2122224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).