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

C17H20F3N3O — CID 109387801

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESCc1c(CN2CC(O)CC2c2ccc(C(F)(F)F)cc2)cnn1C
InChIInChI=1S/C17H20F3N3O/c1-11-13(8-21-22(11)2)9-23-10-15(24)7-16(23)12-3-5-14(6-4-12)17(18,19)20/h3-6,8,15-16,24H,7,9-10H2,1-2H3
InChIKeyKRRXTHKPKXSEEH-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.06
Rot. Bonds3

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

1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol (PubChem CID 109387801) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
PubChem CID109387801
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESCc1c(CN2CC(O)CC2c2ccc(C(F)(F)F)cc2)cnn1C
InChIInChI=1S/C17H20F3N3O/c1-11-13(8-21-22(11)2)9-23-10-15(24)7-16(23)12-3-5-14(6-4-12)17(18,19)20/h3-6,8,15-16,24H,7,9-10H2,1-2H3
InChIKeyKRRXTHKPKXSEEH-UHFFFAOYSA-N
XLogP3.06
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,5S)-1-(2-methylsulfanylethyl)-5-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129432734
(3R,5R)-1-[(2-methylpyrazol-3-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129372706
(3R,5R)-1-[(1-methylpyrazol-4-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129471270
(3R,5R)-1-[(3-methylimidazol-4-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129393579
(3S,5S)-1-(pyrimidin-5-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129398116
(3R,5S)-5-(4-fluorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 129350975
(3S,5R)-5-(4-fluorophenyl)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-ol
CID 100698925
1-(5-bromo-6-methyl-2-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 133451721
1-[(3R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 124999677
(3S,5R)-1-[(5-methyl-1,2-oxazol-4-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129350256
(3S,5S)-1-(1H-imidazol-5-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 97155334
(3R,5R)-1-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 125135716

Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol (CID 109387801) is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol is Cc1c(CN2CC(O)CC2c2ccc(C(F)(F)F)cc2)cnn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is KRRXTHKPKXSEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c1-11-13(8-21-22(11)2)9-23-10-15(24)7-16(23)12-3-5-14(6-4-12)17(18,19)20/h3-6,8,15-16,24H,7,9-10H2,1-2H3.
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 339.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 109387801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).