1-cyclopentyl-N-methyl-3-phenylpyrazole-4-sulfonamide

C15H19N3O2S — CID 42347151

IUPAC1-cyclopentyl-N-methyl-3-phenylpyrazole-4-sulfonamide
SMILESCNS(=O)(=O)c1cn(C2CCCC2)nc1-c1ccccc1
InChIInChI=1S/C15H19N3O2S/c1-16-21(19,20)14-11-18(13-9-5-6-10-13)17-15(14)12-7-3-2-4-8-12/h2-4,7-8,11,13,16H,5-6,9-10H2,1H3
InChIKeyKQJPRASFSAMQLK-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.57
Rot. Bonds4

About 1-cyclopentyl-N-methyl-3-phenylpyrazole-4-sulfonamide

1-cyclopentyl-N-methyl-3-phenylpyrazole-4-sulfonamide (PubChem CID 42347151) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-3-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-3-phenylpyrazole-4-sulfonamide
PubChem CID42347151
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-cyclopentyl-N-methyl-3-phenylpyrazole-4-sulfonamide
SMILESCNS(=O)(=O)c1cn(C2CCCC2)nc1-c1ccccc1
InChIInChI=1S/C15H19N3O2S/c1-16-21(19,20)14-11-18(13-9-5-6-10-13)17-15(14)12-7-3-2-4-8-12/h2-4,7-8,11,13,16H,5-6,9-10H2,1H3
InChIKeyKQJPRASFSAMQLK-UHFFFAOYSA-N
XLogP2.57
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methyl-3-phenylpyrazole-4-sulfonamide?
The IUPAC name of 1-cyclopentyl-N-methyl-3-phenylpyrazole-4-sulfonamide (CID 42347151) is 1-cyclopentyl-N-methyl-3-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-cyclopentyl-N-methyl-3-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 1-cyclopentyl-N-methyl-3-phenylpyrazole-4-sulfonamide is CNS(=O)(=O)c1cn(C2CCCC2)nc1-c1ccccc1.
What is the InChIKey of 1-cyclopentyl-N-methyl-3-phenylpyrazole-4-sulfonamide?
The InChIKey is KQJPRASFSAMQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-16-21(19,20)14-11-18(13-9-5-6-10-13)17-15(14)12-7-3-2-4-8-12/h2-4,7-8,11,13,16H,5-6,9-10H2,1H3.
What are the key properties of 1-cyclopentyl-N-methyl-3-phenylpyrazole-4-sulfonamide?
1-cyclopentyl-N-methyl-3-phenylpyrazole-4-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methyl-3-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42347151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).