(3S,5R)-1-(2-ethylpyrazol-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol

C15H18FN3O3S — CID 100611402

IUPAC(3S,5R)-1-(2-ethylpyrazol-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol
SMILESCCn1nccc1S(=O)(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C15H18FN3O3S/c1-2-18-15(7-8-17-18)23(21,22)19-10-13(20)9-14(19)11-3-5-12(16)6-4-11/h3-8,13-14,20H,2,9-10H2,1H3/t13-,14+/m0/s1
InChIKeyLAUBGHVOWCWIDS-UONOGXRCSA-N
MW339.39 g/mol
LogP1.54
Rot. Bonds4

About (3S,5R)-1-(2-ethylpyrazol-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol

(3S,5R)-1-(2-ethylpyrazol-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol (PubChem CID 100611402) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is (3S,5R)-1-(2-ethylpyrazol-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-1-(2-ethylpyrazol-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol
PubChem CID100611402
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC Name(3S,5R)-1-(2-ethylpyrazol-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol
SMILESCCn1nccc1S(=O)(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C15H18FN3O3S/c1-2-18-15(7-8-17-18)23(21,22)19-10-13(20)9-14(19)11-3-5-12(16)6-4-11/h3-8,13-14,20H,2,9-10H2,1H3/t13-,14+/m0/s1
InChIKeyLAUBGHVOWCWIDS-UONOGXRCSA-N
XLogP1.54
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,5R)-1-(2-ethylpyrazol-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol 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 (3S,5R)-1-(2-ethylpyrazol-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol?
The IUPAC name of (3S,5R)-1-(2-ethylpyrazol-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol (CID 100611402) is (3S,5R)-1-(2-ethylpyrazol-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,5R)-1-(2-ethylpyrazol-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,5R)-1-(2-ethylpyrazol-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol is CCn1nccc1S(=O)(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (3S,5R)-1-(2-ethylpyrazol-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol?
The InChIKey is LAUBGHVOWCWIDS-UONOGXRCSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-2-18-15(7-8-17-18)23(21,22)19-10-13(20)9-14(19)11-3-5-12(16)6-4-11/h3-8,13-14,20H,2,9-10H2,1H3/t13-,14+/m0/s1.
What are the key properties of (3S,5R)-1-(2-ethylpyrazol-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol?
(3S,5R)-1-(2-ethylpyrazol-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol has a molecular weight of 339.39 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-(2-ethylpyrazol-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 100611402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).