1-methyl-5-(2-methyl-5-phenylthiophen-3-yl)pyrazole-3-carboxamide

C16H15N3OS — CID 118715047

IUPAC1-methyl-5-(2-methyl-5-phenylthiophen-3-yl)pyrazole-3-carboxamide
SMILESCc1sc(-c2ccccc2)cc1-c1cc(C(N)=O)nn1C
InChIInChI=1S/C16H15N3OS/c1-10-12(14-9-13(16(17)20)18-19(14)2)8-15(21-10)11-6-4-3-5-7-11/h3-9H,1-2H3,(H2,17,20)
InChIKeyBITYCSSEXZPXMR-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.22
Rot. Bonds3

About 1-methyl-5-(2-methyl-5-phenylthiophen-3-yl)pyrazole-3-carboxamide

1-methyl-5-(2-methyl-5-phenylthiophen-3-yl)pyrazole-3-carboxamide (PubChem CID 118715047) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-methyl-5-(2-methyl-5-phenylthiophen-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-(2-methyl-5-phenylthiophen-3-yl)pyrazole-3-carboxamide
PubChem CID118715047
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name1-methyl-5-(2-methyl-5-phenylthiophen-3-yl)pyrazole-3-carboxamide
SMILESCc1sc(-c2ccccc2)cc1-c1cc(C(N)=O)nn1C
InChIInChI=1S/C16H15N3OS/c1-10-12(14-9-13(16(17)20)18-19(14)2)8-15(21-10)11-6-4-3-5-7-11/h3-9H,1-2H3,(H2,17,20)
InChIKeyBITYCSSEXZPXMR-UHFFFAOYSA-N
XLogP3.22
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methyl-5-phenylthiophen-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-5-(2-methyl-5-phenylthiophen-3-yl)pyrazole-3-carboxamide (CID 118715047) is 1-methyl-5-(2-methyl-5-phenylthiophen-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-5-(2-methyl-5-phenylthiophen-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-5-(2-methyl-5-phenylthiophen-3-yl)pyrazole-3-carboxamide is Cc1sc(-c2ccccc2)cc1-c1cc(C(N)=O)nn1C.
What is the InChIKey of 1-methyl-5-(2-methyl-5-phenylthiophen-3-yl)pyrazole-3-carboxamide?
The InChIKey is BITYCSSEXZPXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10-12(14-9-13(16(17)20)18-19(14)2)8-15(21-10)11-6-4-3-5-7-11/h3-9H,1-2H3,(H2,17,20).
What are the key properties of 1-methyl-5-(2-methyl-5-phenylthiophen-3-yl)pyrazole-3-carboxamide?
1-methyl-5-(2-methyl-5-phenylthiophen-3-yl)pyrazole-3-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methyl-5-phenylthiophen-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 118715047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).