(3R,5R)-1-[(1-methylpyrazol-4-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol

C16H18F3N3O — CID 129471270

IUPAC(3R,5R)-1-[(1-methylpyrazol-4-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESCn1cc(CN2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C16H18F3N3O/c1-21-8-11(7-20-21)9-22-10-14(23)6-15(22)12-3-2-4-13(5-12)16(17,18)19/h2-5,7-8,14-15,23H,6,9-10H2,1H3/t14-,15-/m1/s1
InChIKeyXGPHEKSQGLWGIZ-HUUCEWRRSA-N
MW325.33 g/mol
LogP2.75
Rot. Bonds3

About (3R,5R)-1-[(1-methylpyrazol-4-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol

(3R,5R)-1-[(1-methylpyrazol-4-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol (PubChem CID 129471270) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is (3R,5R)-1-[(1-methylpyrazol-4-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-1-[(1-methylpyrazol-4-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
PubChem CID129471270
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name(3R,5R)-1-[(1-methylpyrazol-4-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESCn1cc(CN2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C16H18F3N3O/c1-21-8-11(7-20-21)9-22-10-14(23)6-15(22)12-3-2-4-13(5-12)16(17,18)19/h2-5,7-8,14-15,23H,6,9-10H2,1H3/t14-,15-/m1/s1
InChIKeyXGPHEKSQGLWGIZ-HUUCEWRRSA-N
XLogP2.75
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5S)-1-(pyrimidin-5-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129398116
(3R,5R)-1-[(2-methylpyrazol-3-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129372706
1-[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
CID 99819653
(3R,5R)-1-[(3-methylimidazol-4-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129393579
(3R,5S)-1-[(1-methylpyrazol-4-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 100615756
(3R,5S)-1-[(1-methylpyrazol-4-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134806376
(3R,5R)-1-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 125135716
(3S,5S)-1-(1H-imidazol-5-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 97155334
(3S,5R)-1-[(6-methoxypyridazin-3-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129481895
(3R,5R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129393605
5-(3-fluorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 128975913
5-(3-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol
CID 128964288

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-[(1-methylpyrazol-4-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-1-[(1-methylpyrazol-4-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol (CID 129471270) is (3R,5R)-1-[(1-methylpyrazol-4-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-1-[(1-methylpyrazol-4-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-1-[(1-methylpyrazol-4-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol is Cn1cc(CN2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of (3R,5R)-1-[(1-methylpyrazol-4-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is XGPHEKSQGLWGIZ-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-21-8-11(7-20-21)9-22-10-14(23)6-15(22)12-3-2-4-13(5-12)16(17,18)19/h2-5,7-8,14-15,23H,6,9-10H2,1H3/t14-,15-/m1/s1.
What are the key properties of (3R,5R)-1-[(1-methylpyrazol-4-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
(3R,5R)-1-[(1-methylpyrazol-4-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 325.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-[(1-methylpyrazol-4-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 129471270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).