3-amino-1-(1-cyclopentylpyrazol-3-yl)-5-methylsulfonylpentan-2-one

C14H23N3O3S — CID 116552125

IUPAC3-amino-1-(1-cyclopentylpyrazol-3-yl)-5-methylsulfonylpentan-2-one
SMILESCS(=O)(=O)CCC(N)C(=O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H23N3O3S/c1-21(19,20)9-7-13(15)14(18)10-11-6-8-17(16-11)12-4-2-3-5-12/h6,8,12-13H,2-5,7,9-10,15H2,1H3
InChIKeyJJQZMTWQZWEADU-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.87
Rot. Bonds7

About 3-amino-1-(1-cyclopentylpyrazol-3-yl)-5-methylsulfonylpentan-2-one

3-amino-1-(1-cyclopentylpyrazol-3-yl)-5-methylsulfonylpentan-2-one (PubChem CID 116552125) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-amino-1-(1-cyclopentylpyrazol-3-yl)-5-methylsulfonylpentan-2-one.

Molecular Properties

Compound Name3-amino-1-(1-cyclopentylpyrazol-3-yl)-5-methylsulfonylpentan-2-one
PubChem CID116552125
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-amino-1-(1-cyclopentylpyrazol-3-yl)-5-methylsulfonylpentan-2-one
SMILESCS(=O)(=O)CCC(N)C(=O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H23N3O3S/c1-21(19,20)9-7-13(15)14(18)10-11-6-8-17(16-11)12-4-2-3-5-12/h6,8,12-13H,2-5,7,9-10,15H2,1H3
InChIKeyJJQZMTWQZWEADU-UHFFFAOYSA-N
XLogP0.87
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-amino-1-(1-cyclopentylpyrazol-3-yl)-5-methylsulfonylpentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-(1-cyclohexylpyrazol-3-yl)hex-5-en-2-one
CID 116607065
1-(1-cyclopentylpyrazol-3-yl)-3-hydroxyhexan-2-one
CID 103453825
1-amino-3-(1-cyclopentylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one
CID 116601706
4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
CID 116556039
3-(1-cyclopentylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one
CID 103458105
(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
CID 106702721
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318
1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol
CID 112692637
1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one
CID 79197509
1-(1-cyclohexylpyrazol-3-yl)-4,5,5-trimethylhexan-2-one
CID 114975039
1-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propan-2-amine
CID 81190022

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-cyclopentylpyrazol-3-yl)-5-methylsulfonylpentan-2-one?
The IUPAC name of 3-amino-1-(1-cyclopentylpyrazol-3-yl)-5-methylsulfonylpentan-2-one (CID 116552125) is 3-amino-1-(1-cyclopentylpyrazol-3-yl)-5-methylsulfonylpentan-2-one.
What is the SMILES notation for 3-amino-1-(1-cyclopentylpyrazol-3-yl)-5-methylsulfonylpentan-2-one?
The canonical SMILES for 3-amino-1-(1-cyclopentylpyrazol-3-yl)-5-methylsulfonylpentan-2-one is CS(=O)(=O)CCC(N)C(=O)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 3-amino-1-(1-cyclopentylpyrazol-3-yl)-5-methylsulfonylpentan-2-one?
The InChIKey is JJQZMTWQZWEADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-21(19,20)9-7-13(15)14(18)10-11-6-8-17(16-11)12-4-2-3-5-12/h6,8,12-13H,2-5,7,9-10,15H2,1H3.
What are the key properties of 3-amino-1-(1-cyclopentylpyrazol-3-yl)-5-methylsulfonylpentan-2-one?
3-amino-1-(1-cyclopentylpyrazol-3-yl)-5-methylsulfonylpentan-2-one has a molecular weight of 313.42 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-cyclopentylpyrazol-3-yl)-5-methylsulfonylpentan-2-one is sourced from PubChem (CID 116552125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).