2-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide

C10H11N3OS — CID 1236012

IUPAC2-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCc1cccs1
InChIInChI=1S/C10H11N3OS/c1-13-9(4-5-12-13)10(14)11-7-8-3-2-6-15-8/h2-6H,7H2,1H3,(H,11,14)
InChIKeyKZOMSPKSWBGZMC-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.41
Rot. Bonds3

About 2-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide

2-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 1236012) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 2-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID1236012
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name2-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCc1cccs1
InChIInChI=1S/C10H11N3OS/c1-13-9(4-5-12-13)10(14)11-7-8-3-2-6-15-8/h2-6H,7H2,1H3,(H,11,14)
InChIKeyKZOMSPKSWBGZMC-UHFFFAOYSA-N
XLogP1.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide (CID 1236012) is 2-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide is Cn1nccc1C(=O)NCc1cccs1.
What is the InChIKey of 2-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is KZOMSPKSWBGZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-13-9(4-5-12-13)10(14)11-7-8-3-2-6-15-8/h2-6H,7H2,1H3,(H,11,14).
What are the key properties of 2-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
2-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 221.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 1236012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).