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

C18H24FN3O2 — CID 95570874

IUPAC(2S)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
SMILESCn1cc([C@H]2CCCN2C[C@H](O)COCc2ccccc2F)cn1
InChIInChI=1S/C18H24FN3O2/c1-21-10-15(9-20-21)18-7-4-8-22(18)11-16(23)13-24-12-14-5-2-3-6-17(14)19/h2-3,5-6,9-10,16,18,23H,4,7-8,11-13H2,1H3/t16-,18+/m0/s1
InChIKeyLOCQYDPBULOFSL-FUHWJXTLSA-N
MW333.41 g/mol
LogP2.27
Rot. Bonds7

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

(2S)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol (PubChem CID 95570874) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is (2S)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
PubChem CID95570874
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name(2S)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
SMILESCn1cc([C@H]2CCCN2C[C@H](O)COCc2ccccc2F)cn1
InChIInChI=1S/C18H24FN3O2/c1-21-10-15(9-20-21)18-7-4-8-22(18)11-16(23)13-24-12-14-5-2-3-6-17(14)19/h2-3,5-6,9-10,16,18,23H,4,7-8,11-13H2,1H3/t16-,18+/m0/s1
InChIKeyLOCQYDPBULOFSL-FUHWJXTLSA-N
XLogP2.27
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-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)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol (CID 95570874) is (2S)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol is Cn1cc([C@H]2CCCN2C[C@H](O)COCc2ccccc2F)cn1.
What is the InChIKey of (2S)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol?
The InChIKey is LOCQYDPBULOFSL-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-21-10-15(9-20-21)18-7-4-8-22(18)11-16(23)13-24-12-14-5-2-3-6-17(14)19/h2-3,5-6,9-10,16,18,23H,4,7-8,11-13H2,1H3/t16-,18+/m0/s1.
What are the key properties of (2S)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol?
(2S)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol has a molecular weight of 333.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 95570874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).