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

C19H23F2N3O — CID 129350541

IUPAC(3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(3,4-difluorophenyl)pyrrolidin-3-ol
SMILESO[C@H]1C[C@@H](c2ccc(F)c(F)c2)N(Cc2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C19H23F2N3O/c20-17-6-5-13(9-18(17)21)19-10-16(25)12-23(19)11-14-7-8-24(22-14)15-3-1-2-4-15/h5-9,15-16,19,25H,1-4,10-12H2/t16-,19-/m0/s1
InChIKeyCBMKOYCDERWUFI-LPHOPBHVSA-N
MW347.41 g/mol
LogP3.58
Rot. Bonds4

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

(3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(3,4-difluorophenyl)pyrrolidin-3-ol (PubChem CID 129350541) has the molecular formula C19H23F2N3O and a molecular weight of 347.41 g/mol. Its IUPAC name is (3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(3,4-difluorophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(3,4-difluorophenyl)pyrrolidin-3-ol
PubChem CID129350541
Molecular FormulaC19H23F2N3O
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC Name(3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(3,4-difluorophenyl)pyrrolidin-3-ol
SMILESO[C@H]1C[C@@H](c2ccc(F)c(F)c2)N(Cc2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C19H23F2N3O/c20-17-6-5-13(9-18(17)21)19-10-16(25)12-23(19)11-14-7-8-24(22-14)15-3-1-2-4-15/h5-9,15-16,19,25H,1-4,10-12H2/t16-,19-/m0/s1
InChIKeyCBMKOYCDERWUFI-LPHOPBHVSA-N
XLogP3.58
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol
CID 129350413
5-[[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-2-fluorobenzonitrile
CID 154751271
(3S,5R)-5-(3,4-difluorophenyl)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-ol
CID 129446966
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(3,4-difluorophenyl)methanamine
CID 64801065
(3R,5S)-5-(3,4-difluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 129350539
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
4-[[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzamide
CID 129350585
(3R,5R)-5-(3,4-difluorophenyl)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-ol
CID 129350534
(3R,5R)-5-(3,4-difluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 129350923
(3S,5R)-5-(3,4-difluorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 129350551
3-[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-methylpropanamide
CID 129350554

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(3,4-difluorophenyl)pyrrolidin-3-ol?
The IUPAC name of (3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(3,4-difluorophenyl)pyrrolidin-3-ol (CID 129350541) is (3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(3,4-difluorophenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(3,4-difluorophenyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(3,4-difluorophenyl)pyrrolidin-3-ol is O[C@H]1C[C@@H](c2ccc(F)c(F)c2)N(Cc2ccn(C3CCCC3)n2)C1.
What is the InChIKey of (3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(3,4-difluorophenyl)pyrrolidin-3-ol?
The InChIKey is CBMKOYCDERWUFI-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H23F2N3O/c20-17-6-5-13(9-18(17)21)19-10-16(25)12-23(19)11-14-7-8-24(22-14)15-3-1-2-4-15/h5-9,15-16,19,25H,1-4,10-12H2/t16-,19-/m0/s1.
What are the key properties of (3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(3,4-difluorophenyl)pyrrolidin-3-ol?
(3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(3,4-difluorophenyl)pyrrolidin-3-ol has a molecular weight of 347.41 g/mol, XLogP of 3.58, 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-(3,4-difluorophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 129350541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).