1-cyclopentyl-2-(4-methylsulfonylpyrazol-1-yl)ethanamine

C11H19N3O2S — CID 165471759

IUPAC1-cyclopentyl-2-(4-methylsulfonylpyrazol-1-yl)ethanamine
SMILESCS(=O)(=O)c1cnn(CC(N)C2CCCC2)c1
InChIInChI=1S/C11H19N3O2S/c1-17(15,16)10-6-13-14(7-10)8-11(12)9-4-2-3-5-9/h6-7,9,11H,2-5,8,12H2,1H3
InChIKeyJNEPRRPVIKIVEC-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.80
Rot. Bonds4

About 1-cyclopentyl-2-(4-methylsulfonylpyrazol-1-yl)ethanamine

1-cyclopentyl-2-(4-methylsulfonylpyrazol-1-yl)ethanamine (PubChem CID 165471759) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-cyclopentyl-2-(4-methylsulfonylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-(4-methylsulfonylpyrazol-1-yl)ethanamine
PubChem CID165471759
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-cyclopentyl-2-(4-methylsulfonylpyrazol-1-yl)ethanamine
SMILESCS(=O)(=O)c1cnn(CC(N)C2CCCC2)c1
InChIInChI=1S/C11H19N3O2S/c1-17(15,16)10-6-13-14(7-10)8-11(12)9-4-2-3-5-9/h6-7,9,11H,2-5,8,12H2,1H3
InChIKeyJNEPRRPVIKIVEC-UHFFFAOYSA-N
XLogP0.80
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-amine
CID 165473094
2-cyclobutyl-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid
CID 165478113
3,3-dimethyl-1-(4-methylsulfonylpyrazol-1-yl)butan-2-amine
CID 165471755
2-amino-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid
CID 165480243
(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol
CID 165472464
1-[2-(bromomethyl)-3,3-dimethylbutyl]-4-methylsulfonylpyrazole
CID 165480416
3,3-dimethyl-2-[(4-methylsulfonylpyrazol-1-yl)methyl]butan-1-amine
CID 165478114
1-(2-cyclohexylpropyl)pyrazol-4-amine
CID 165465103
4-methylsulfonyl-1-[(4-methylsulfonylphenyl)methyl]pyrazole
CID 154786420
4-methylsulfonyl-1-[3-(oxiran-2-yl)propyl]pyrazole
CID 165481225
N-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide
CID 63765093
5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol
CID 165472463

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(4-methylsulfonylpyrazol-1-yl)ethanamine?
The IUPAC name of 1-cyclopentyl-2-(4-methylsulfonylpyrazol-1-yl)ethanamine (CID 165471759) is 1-cyclopentyl-2-(4-methylsulfonylpyrazol-1-yl)ethanamine.
What is the SMILES notation for 1-cyclopentyl-2-(4-methylsulfonylpyrazol-1-yl)ethanamine?
The canonical SMILES for 1-cyclopentyl-2-(4-methylsulfonylpyrazol-1-yl)ethanamine is CS(=O)(=O)c1cnn(CC(N)C2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-2-(4-methylsulfonylpyrazol-1-yl)ethanamine?
The InChIKey is JNEPRRPVIKIVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-17(15,16)10-6-13-14(7-10)8-11(12)9-4-2-3-5-9/h6-7,9,11H,2-5,8,12H2,1H3.
What are the key properties of 1-cyclopentyl-2-(4-methylsulfonylpyrazol-1-yl)ethanamine?
1-cyclopentyl-2-(4-methylsulfonylpyrazol-1-yl)ethanamine has a molecular weight of 257.36 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(4-methylsulfonylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 165471759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).