3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide

C17H17N3OS — CID 4882032

IUPAC3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NCc1cccs1
InChIInChI=1S/C17H17N3OS/c1-12-16(17(21)18-11-15-9-6-10-22-15)13(2)20(19-12)14-7-4-3-5-8-14/h3-10H,11H2,1-2H3,(H,18,21)
InChIKeyHVFXMZRDGUPWRD-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.48
Rot. Bonds4

About 3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide

3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 4882032) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID4882032
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NCc1cccs1
InChIInChI=1S/C17H17N3OS/c1-12-16(17(21)18-11-15-9-6-10-22-15)13(2)20(19-12)14-7-4-3-5-8-14/h3-10H,11H2,1-2H3,(H,18,21)
InChIKeyHVFXMZRDGUPWRD-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

Analyze 3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide (CID 4882032) is 3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1cccs1.
What is the InChIKey of 3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is HVFXMZRDGUPWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-12-16(17(21)18-11-15-9-6-10-22-15)13(2)20(19-12)14-7-4-3-5-8-14/h3-10H,11H2,1-2H3,(H,18,21).
What are the key properties of 3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide 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 3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 4882032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).