2-cyclobutyl-N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide

C14H14N6OS — CID 154785410

IUPAC2-cyclobutyl-N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1n[nH]c(-c2cccs2)n1)c1ccnn1C1CCC1
InChIInChI=1S/C14H14N6OS/c21-13(10-6-7-15-20(10)9-3-1-4-9)17-14-16-12(18-19-14)11-5-2-8-22-11/h2,5-9H,1,3-4H2,(H2,16,17,18,19,21)
InChIKeySZKRCUGUDDRJRY-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.71
Rot. Bonds4

About 2-cyclobutyl-N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide

2-cyclobutyl-N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide (PubChem CID 154785410) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-cyclobutyl-N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide
PubChem CID154785410
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC Name2-cyclobutyl-N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1n[nH]c(-c2cccs2)n1)c1ccnn1C1CCC1
InChIInChI=1S/C14H14N6OS/c21-13(10-6-7-15-20(10)9-3-1-4-9)17-14-16-12(18-19-14)11-5-2-8-22-11/h2,5-9H,1,3-4H2,(H2,16,17,18,19,21)
InChIKeySZKRCUGUDDRJRY-UHFFFAOYSA-N
XLogP2.71
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 2-cyclobutyl-N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide (CID 154785410) is 2-cyclobutyl-N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-cyclobutyl-N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2-cyclobutyl-N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide is O=C(Nc1n[nH]c(-c2cccs2)n1)c1ccnn1C1CCC1.
What is the InChIKey of 2-cyclobutyl-N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide?
The InChIKey is SZKRCUGUDDRJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c21-13(10-6-7-15-20(10)9-3-1-4-9)17-14-16-12(18-19-14)11-5-2-8-22-11/h2,5-9H,1,3-4H2,(H2,16,17,18,19,21).
What are the key properties of 2-cyclobutyl-N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide?
2-cyclobutyl-N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 154785410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).