(3R,4S)-4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine

C17H22N4O3S — CID 72937765

IUPAC(3R,4S)-4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine
SMILESCOc1ccc(-n2cccn2)cc1S(=O)(=O)N1C[C@H](C2CC2)[C@@H](N)C1
InChIInChI=1S/C17H22N4O3S/c1-24-16-6-5-13(21-8-2-7-19-21)9-17(16)25(22,23)20-10-14(12-3-4-12)15(18)11-20/h2,5-9,12,14-15H,3-4,10-11,18H2,1H3/t14-,15+/m1/s1
InChIKeyZFTWLHHCDRRVGE-CABCVRRESA-N
MW362.46 g/mol
LogP1.24
Rot. Bonds5

About (3R,4S)-4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine

(3R,4S)-4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine (PubChem CID 72937765) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is (3R,4S)-4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine
PubChem CID72937765
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name(3R,4S)-4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine
SMILESCOc1ccc(-n2cccn2)cc1S(=O)(=O)N1C[C@H](C2CC2)[C@@H](N)C1
InChIInChI=1S/C17H22N4O3S/c1-24-16-6-5-13(21-8-2-7-19-21)9-17(16)25(22,23)20-10-14(12-3-4-12)15(18)11-20/h2,5-9,12,14-15H,3-4,10-11,18H2,1H3/t14-,15+/m1/s1
InChIKeyZFTWLHHCDRRVGE-CABCVRRESA-N
XLogP1.24
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,4S)-4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine (CID 72937765) is (3R,4S)-4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine is COc1ccc(-n2cccn2)cc1S(=O)(=O)N1C[C@H](C2CC2)[C@@H](N)C1.
What is the InChIKey of (3R,4S)-4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine?
The InChIKey is ZFTWLHHCDRRVGE-CABCVRRESA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-24-16-6-5-13(21-8-2-7-19-21)9-17(16)25(22,23)20-10-14(12-3-4-12)15(18)11-20/h2,5-9,12,14-15H,3-4,10-11,18H2,1H3/t14-,15+/m1/s1.
What are the key properties of (3R,4S)-4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine?
(3R,4S)-4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine has a molecular weight of 362.46 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 72937765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).