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

C11H13N3OS — CID 2738497

IUPAC1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccs2)nn1C
InChIInChI=1S/C11H13N3OS/c1-8-6-10(13-14(8)2)11(15)12-7-9-4-3-5-16-9/h3-6H,7H2,1-2H3,(H,12,15)
InChIKeyZDKZSMDFPGXLSJ-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.72
Rot. Bonds3

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

1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 2738497) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID2738497
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccs2)nn1C
InChIInChI=1S/C11H13N3OS/c1-8-6-10(13-14(8)2)11(15)12-7-9-4-3-5-16-9/h3-6H,7H2,1-2H3,(H,12,15)
InChIKeyZDKZSMDFPGXLSJ-UHFFFAOYSA-N
XLogP1.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide (CID 2738497) is 1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide is Cc1cc(C(=O)NCc2cccs2)nn1C.
What is the InChIKey of 1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is ZDKZSMDFPGXLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-6-10(13-14(8)2)11(15)12-7-9-4-3-5-16-9/h3-6H,7H2,1-2H3,(H,12,15).
What are the key properties of 1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 2738497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).