N-(2-methylsulfonylcyclopentyl)-2-pyrazol-1-ylaniline

C15H19N3O2S — CID 65044226

IUPACN-(2-methylsulfonylcyclopentyl)-2-pyrazol-1-ylaniline
SMILESCS(=O)(=O)C1CCCC1Nc1ccccc1-n1cccn1
InChIInChI=1S/C15H19N3O2S/c1-21(19,20)15-9-4-7-13(15)17-12-6-2-3-8-14(12)18-11-5-10-16-18/h2-3,5-6,8,10-11,13,15,17H,4,7,9H2,1H3
InChIKeyVIHYSJNCWIVQPX-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.25
Rot. Bonds4

About N-(2-methylsulfonylcyclopentyl)-2-pyrazol-1-ylaniline

N-(2-methylsulfonylcyclopentyl)-2-pyrazol-1-ylaniline (PubChem CID 65044226) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(2-methylsulfonylcyclopentyl)-2-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-(2-methylsulfonylcyclopentyl)-2-pyrazol-1-ylaniline
PubChem CID65044226
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(2-methylsulfonylcyclopentyl)-2-pyrazol-1-ylaniline
SMILESCS(=O)(=O)C1CCCC1Nc1ccccc1-n1cccn1
InChIInChI=1S/C15H19N3O2S/c1-21(19,20)15-9-4-7-13(15)17-12-6-2-3-8-14(12)18-11-5-10-16-18/h2-3,5-6,8,10-11,13,15,17H,4,7,9H2,1H3
InChIKeyVIHYSJNCWIVQPX-UHFFFAOYSA-N
XLogP2.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylcyclopentyl)-2-pyrazol-1-ylaniline?
The IUPAC name of N-(2-methylsulfonylcyclopentyl)-2-pyrazol-1-ylaniline (CID 65044226) is N-(2-methylsulfonylcyclopentyl)-2-pyrazol-1-ylaniline.
What is the SMILES notation for N-(2-methylsulfonylcyclopentyl)-2-pyrazol-1-ylaniline?
The canonical SMILES for N-(2-methylsulfonylcyclopentyl)-2-pyrazol-1-ylaniline is CS(=O)(=O)C1CCCC1Nc1ccccc1-n1cccn1.
What is the InChIKey of N-(2-methylsulfonylcyclopentyl)-2-pyrazol-1-ylaniline?
The InChIKey is VIHYSJNCWIVQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-21(19,20)15-9-4-7-13(15)17-12-6-2-3-8-14(12)18-11-5-10-16-18/h2-3,5-6,8,10-11,13,15,17H,4,7,9H2,1H3.
What are the key properties of N-(2-methylsulfonylcyclopentyl)-2-pyrazol-1-ylaniline?
N-(2-methylsulfonylcyclopentyl)-2-pyrazol-1-ylaniline has a molecular weight of 305.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylcyclopentyl)-2-pyrazol-1-ylaniline is sourced from PubChem (CID 65044226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).