5-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide

C11H13N3OS — CID 47292668

IUPAC5-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2cccs2)n[nH]1
InChIInChI=1S/C11H13N3OS/c1-8-7-10(14-13-8)11(15)12-5-4-9-3-2-6-16-9/h2-3,6-7H,4-5H2,1H3,(H,12,15)(H,13,14)
InChIKeyLULHRHFKGQNBLA-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.75
Rot. Bonds4

About 5-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide

5-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 47292668) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide
PubChem CID47292668
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name5-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2cccs2)n[nH]1
InChIInChI=1S/C11H13N3OS/c1-8-7-10(14-13-8)11(15)12-5-4-9-3-2-6-16-9/h2-3,6-7H,4-5H2,1H3,(H,12,15)(H,13,14)
InChIKeyLULHRHFKGQNBLA-UHFFFAOYSA-N
XLogP1.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide (CID 47292668) is 5-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NCCc2cccs2)n[nH]1.
What is the InChIKey of 5-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is LULHRHFKGQNBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-7-10(14-13-8)11(15)12-5-4-9-3-2-6-16-9/h2-3,6-7H,4-5H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 5-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide?
5-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47292668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).