(3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol

C19H24FN3O — CID 129350413

IUPAC(3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol
SMILESO[C@H]1C[C@@H](c2ccc(F)cc2)N(Cc2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C19H24FN3O/c20-15-7-5-14(6-8-15)19-11-18(24)13-22(19)12-16-9-10-23(21-16)17-3-1-2-4-17/h5-10,17-19,24H,1-4,11-13H2/t18-,19-/m0/s1
InChIKeyMXHDEQGYXVNMSK-OALUTQOASA-N
MW329.42 g/mol
LogP3.45
Rot. Bonds4

About (3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol

(3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol (PubChem CID 129350413) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is (3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol
PubChem CID129350413
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name(3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol
SMILESO[C@H]1C[C@@H](c2ccc(F)cc2)N(Cc2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C19H24FN3O/c20-15-7-5-14(6-8-15)19-11-18(24)13-22(19)12-16-9-10-23(21-16)17-3-1-2-4-17/h5-10,17-19,24H,1-4,11-13H2/t18-,19-/m0/s1
InChIKeyMXHDEQGYXVNMSK-OALUTQOASA-N
XLogP3.45
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol?
The IUPAC name of (3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol (CID 129350413) is (3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol is O[C@H]1C[C@@H](c2ccc(F)cc2)N(Cc2ccn(C3CCCC3)n2)C1.
What is the InChIKey of (3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol?
The InChIKey is MXHDEQGYXVNMSK-OALUTQOASA-N. The full InChI is InChI=1S/C19H24FN3O/c20-15-7-5-14(6-8-15)19-11-18(24)13-22(19)12-16-9-10-23(21-16)17-3-1-2-4-17/h5-10,17-19,24H,1-4,11-13H2/t18-,19-/m0/s1.
What are the key properties of (3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol?
(3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol has a molecular weight of 329.42 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 129350413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).