5-(3-fluorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-ol

C18H24FN3O — CID 128975908

IUPAC5-(3-fluorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCc1nn(C(C)C)cc1CN1CC(O)CC1c1cccc(F)c1
InChIInChI=1S/C18H24FN3O/c1-12(2)22-10-15(13(3)20-22)9-21-11-17(23)8-18(21)14-5-4-6-16(19)7-14/h4-7,10,12,17-18,23H,8-9,11H2,1-3H3
InChIKeyKRYCCPHLOJFVLQ-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.22
Rot. Bonds4

About 5-(3-fluorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-ol

5-(3-fluorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-ol (PubChem CID 128975908) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(3-fluorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-ol
PubChem CID128975908
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name5-(3-fluorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCc1nn(C(C)C)cc1CN1CC(O)CC1c1cccc(F)c1
InChIInChI=1S/C18H24FN3O/c1-12(2)22-10-15(13(3)20-22)9-21-11-17(23)8-18(21)14-5-4-6-16(19)7-14/h4-7,10,12,17-18,23H,8-9,11H2,1-3H3
InChIKeyKRYCCPHLOJFVLQ-UHFFFAOYSA-N
XLogP3.22
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5S)-5-(4-fluorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 129350975
(3S,5R)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 129480762
(3S,5S)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 129480760
(3S,5S)-5-(3-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol
CID 129480618
4-[[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzonitrile
CID 129480577
(3R,5R)-1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480964
(3R,5R)-1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129447084
(3R,5R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480553
(3S,5R)-1-[(3,4-dimethoxyphenyl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480686
3-[[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 129480696
2-(3-chlorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120846864
(3R,5S)-1-[(4-aminopyrimidin-2-yl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480505

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 5-(3-fluorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-ol (CID 128975908) is 5-(3-fluorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-(3-fluorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-(3-fluorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-ol is Cc1nn(C(C)C)cc1CN1CC(O)CC1c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The InChIKey is KRYCCPHLOJFVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-12(2)22-10-15(13(3)20-22)9-21-11-17(23)8-18(21)14-5-4-6-16(19)7-14/h4-7,10,12,17-18,23H,8-9,11H2,1-3H3.
What are the key properties of 5-(3-fluorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
5-(3-fluorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-ol has a molecular weight of 317.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 128975908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).