N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine

C17H23N3O2S — CID 86793729

IUPACN-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine
SMILESCC(Nc1cnn(C)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C17H23N3O2S/c1-13(19-15-11-18-20(2)12-15)14-7-9-17(10-8-14)23(21,22)16-5-3-4-6-16/h7-13,16,19H,3-6H2,1-2H3
InChIKeyUDKXCHYFOLLHAZ-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.31
Rot. Bonds5

About N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine

N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine (PubChem CID 86793729) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine
PubChem CID86793729
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine
SMILESCC(Nc1cnn(C)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C17H23N3O2S/c1-13(19-15-11-18-20(2)12-15)14-7-9-17(10-8-14)23(21,22)16-5-3-4-6-16/h7-13,16,19H,3-6H2,1-2H3
InChIKeyUDKXCHYFOLLHAZ-UHFFFAOYSA-N
XLogP3.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine 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

N-[1-(3-methylbenzyl)-1H-pyrazol-4-yl]ethanesulfonamide
CID 19582228
N-[1-(3-fluorobenzyl)-1H-pyrazol-4-yl]ethanesulfonamide
CID 19582329
1-[(4-Methylsulfonylphenyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 53498722
N-[2-(benzenesulfonyl)ethyl]-1-pyrazol-1-ylpropan-2-amine
CID 53554661
1-(4-methylpyrazol-1-yl)-N-[(4-methylsulfonylphenyl)methyl]propan-2-amine
CID 53570963
2-(4-methylpyrazol-1-yl)-N-[(4-methylsulfonylphenyl)methyl]ethanamine
CID 53614847
N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 75382572
1-[(1R,3S)-3-[4-(trifluoromethyl)phenyl]sulfonylcyclopentyl]pyrazole
CID 139124964
1-phenyl-N-(2-(3-(thiophen-2-yl)-1H-pyrazol-1-yl)ethyl)methanesulfonamide
CID 71808164
(1S)-1-(3-fluoro-4-methylsulfonylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 97230408
1-[(3R)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]-3-[2-(4-methylpyrazol-1-yl)ethyl]urea
CID 124617630
N-[1-[(1R,2S)-2-cyclopropylcyclopropyl]ethyl]-1-(2-methylsulfonylphenyl)pyrazol-4-amine
CID 132319432

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine (CID 86793729) is N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine is CC(Nc1cnn(C)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine?
The InChIKey is UDKXCHYFOLLHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-13(19-15-11-18-20(2)12-15)14-7-9-17(10-8-14)23(21,22)16-5-3-4-6-16/h7-13,16,19H,3-6H2,1-2H3.
What are the key properties of N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine?
N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine has a molecular weight of 333.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 86793729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).