(2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol

C16H20FN3O — CID 97384238

IUPAC(2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCn1cc(C[C@H]2[C@H](O)CCN2Cc2ccc(F)cc2)cn1
InChIInChI=1S/C16H20FN3O/c1-19-10-13(9-18-19)8-15-16(21)6-7-20(15)11-12-2-4-14(17)5-3-12/h2-5,9-10,15-16,21H,6-8,11H2,1H3/t15-,16+/m0/s1
InChIKeyULFLVFRJVBFIPJ-JKSUJKDBSA-N
MW289.35 g/mol
LogP1.74
Rot. Bonds4

About (2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol

(2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol (PubChem CID 97384238) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is (2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
PubChem CID97384238
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name(2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCn1cc(C[C@H]2[C@H](O)CCN2Cc2ccc(F)cc2)cn1
InChIInChI=1S/C16H20FN3O/c1-19-10-13(9-18-19)8-15-16(21)6-7-20(15)11-12-2-4-14(17)5-3-12/h2-5,9-10,15-16,21H,6-8,11H2,1H3/t15-,16+/m0/s1
InChIKeyULFLVFRJVBFIPJ-JKSUJKDBSA-N
XLogP1.74
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]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 (2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol (CID 97384238) is (2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol is Cn1cc(C[C@H]2[C@H](O)CCN2Cc2ccc(F)cc2)cn1.
What is the InChIKey of (2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The InChIKey is ULFLVFRJVBFIPJ-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-19-10-13(9-18-19)8-15-16(21)6-7-20(15)11-12-2-4-14(17)5-3-12/h2-5,9-10,15-16,21H,6-8,11H2,1H3/t15-,16+/m0/s1.
What are the key properties of (2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
(2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol has a molecular weight of 289.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 97384238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).