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

C19H26FN3O2 — CID 95354270

IUPAC(2S)-1-[(2-fluorophenyl)methoxy]-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol
SMILESCc1cnn(C[C@@H]2CCCN2C[C@H](O)COCc2ccccc2F)c1
InChIInChI=1S/C19H26FN3O2/c1-15-9-21-23(10-15)11-17-6-4-8-22(17)12-18(24)14-25-13-16-5-2-3-7-19(16)20/h2-3,5,7,9-10,17-18,24H,4,6,8,11-14H2,1H3/t17-,18-/m0/s1
InChIKeySWGXFRNYBXFPFS-ROUUACIJSA-N
MW347.43 g/mol
LogP2.37
Rot. Bonds8

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

(2S)-1-[(2-fluorophenyl)methoxy]-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol (PubChem CID 95354270) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is (2S)-1-[(2-fluorophenyl)methoxy]-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2-fluorophenyl)methoxy]-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol
PubChem CID95354270
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name(2S)-1-[(2-fluorophenyl)methoxy]-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol
SMILESCc1cnn(C[C@@H]2CCCN2C[C@H](O)COCc2ccccc2F)c1
InChIInChI=1S/C19H26FN3O2/c1-15-9-21-23(10-15)11-17-6-4-8-22(17)12-18(24)14-25-13-16-5-2-3-7-19(16)20/h2-3,5,7,9-10,17-18,24H,4,6,8,11-14H2,1H3/t17-,18-/m0/s1
InChIKeySWGXFRNYBXFPFS-ROUUACIJSA-N
XLogP2.37
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-fluorophenyl)methoxy]-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2-fluorophenyl)methoxy]-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol (CID 95354270) is (2S)-1-[(2-fluorophenyl)methoxy]-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2-fluorophenyl)methoxy]-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2-fluorophenyl)methoxy]-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol is Cc1cnn(C[C@@H]2CCCN2C[C@H](O)COCc2ccccc2F)c1.
What is the InChIKey of (2S)-1-[(2-fluorophenyl)methoxy]-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol?
The InChIKey is SWGXFRNYBXFPFS-ROUUACIJSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-15-9-21-23(10-15)11-17-6-4-8-22(17)12-18(24)14-25-13-16-5-2-3-7-19(16)20/h2-3,5,7,9-10,17-18,24H,4,6,8,11-14H2,1H3/t17-,18-/m0/s1.
What are the key properties of (2S)-1-[(2-fluorophenyl)methoxy]-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol?
(2S)-1-[(2-fluorophenyl)methoxy]-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol has a molecular weight of 347.43 g/mol, XLogP of 2.37, 8 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-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 95354270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).