2-cyclopentyl-5-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)pyrazole-3-sulfonamide

C15H18N8O2S — CID 167746250

IUPAC2-cyclopentyl-5-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)pyrazole-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ncnn2-c2ncccn2)n(C2CCCC2)n1
InChIInChI=1S/C15H18N8O2S/c1-11-9-13(22(20-11)12-5-2-3-6-12)26(24,25)21-15-18-10-19-23(15)14-16-7-4-8-17-14/h4,7-10,12H,2-3,5-6H2,1H3,(H,18,19,21)
InChIKeyWFFIOTZQVHEVSI-UHFFFAOYSA-N
MW374.43 g/mol
LogP1.48
Rot. Bonds5

About 2-cyclopentyl-5-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)pyrazole-3-sulfonamide

2-cyclopentyl-5-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)pyrazole-3-sulfonamide (PubChem CID 167746250) has the molecular formula C15H18N8O2S and a molecular weight of 374.43 g/mol. Its IUPAC name is 2-cyclopentyl-5-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-cyclopentyl-5-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)pyrazole-3-sulfonamide
PubChem CID167746250
Molecular FormulaC15H18N8O2S
Molecular Weight374.43 g/mol
Exact Mass374.13
IUPAC Name2-cyclopentyl-5-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)pyrazole-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ncnn2-c2ncccn2)n(C2CCCC2)n1
InChIInChI=1S/C15H18N8O2S/c1-11-9-13(22(20-11)12-5-2-3-6-12)26(24,25)21-15-18-10-19-23(15)14-16-7-4-8-17-14/h4,7-10,12H,2-3,5-6H2,1H3,(H,18,19,21)
InChIKeyWFFIOTZQVHEVSI-UHFFFAOYSA-N
XLogP1.48
TPSA120.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 56776945

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)pyrazole-3-sulfonamide?
The IUPAC name of 2-cyclopentyl-5-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)pyrazole-3-sulfonamide (CID 167746250) is 2-cyclopentyl-5-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)pyrazole-3-sulfonamide.
What is the SMILES notation for 2-cyclopentyl-5-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)pyrazole-3-sulfonamide?
The canonical SMILES for 2-cyclopentyl-5-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)pyrazole-3-sulfonamide is Cc1cc(S(=O)(=O)Nc2ncnn2-c2ncccn2)n(C2CCCC2)n1.
What is the InChIKey of 2-cyclopentyl-5-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)pyrazole-3-sulfonamide?
The InChIKey is WFFIOTZQVHEVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O2S/c1-11-9-13(22(20-11)12-5-2-3-6-12)26(24,25)21-15-18-10-19-23(15)14-16-7-4-8-17-14/h4,7-10,12H,2-3,5-6H2,1H3,(H,18,19,21).
What are the key properties of 2-cyclopentyl-5-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)pyrazole-3-sulfonamide?
2-cyclopentyl-5-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)pyrazole-3-sulfonamide has a molecular weight of 374.43 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)pyrazole-3-sulfonamide is sourced from PubChem (CID 167746250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).