2-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol

C24H28FN3O2 — CID 95889035

IUPAC2-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol
SMILESCOc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCC[C@H]2CCO)cc1F
InChIInChI=1S/C24H28FN3O2/c1-17-6-3-4-8-22(17)28-16-19(15-27-12-5-7-20(27)11-13-29)24(26-28)18-9-10-23(30-2)21(25)14-18/h3-4,6,8-10,14,16,20,29H,5,7,11-13,15H2,1-2H3/t20-/m0/s1
InChIKeyFLPQFXLIZIMIOW-FQEVSTJZSA-N
MW409.51 g/mol
LogP4.34
Rot. Bonds7

About 2-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol

2-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol (PubChem CID 95889035) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol
PubChem CID95889035
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name2-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol
SMILESCOc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCC[C@H]2CCO)cc1F
InChIInChI=1S/C24H28FN3O2/c1-17-6-3-4-8-22(17)28-16-19(15-27-12-5-7-20(27)11-13-29)24(26-28)18-9-10-23(30-2)21(25)14-18/h3-4,6,8-10,14,16,20,29H,5,7,11-13,15H2,1-2H3/t20-/m0/s1
InChIKeyFLPQFXLIZIMIOW-FQEVSTJZSA-N
XLogP4.34
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol 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

1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
CID 45222602
3-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
CID 29022180
1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-4-methylpiperazine
CID 29087819
3-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]propane-1,2-diol
CID 45229661
N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-pyrazolidin-4-ylethanamine
CID 74798849
[(2R)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]methanol
CID 42528358
(4S)-1-ethyl-4-[[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one
CID 42525507
[3-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol
CID 3793270
[3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanamine;hydrochloride
CID 155977757
3-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62468345
2-(3-bromopropyl)-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 80691067
2-[1-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperidin-2-yl]ethanol
CID 44827876

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol (CID 95889035) is 2-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol is COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCC[C@H]2CCO)cc1F.
What is the InChIKey of 2-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol?
The InChIKey is FLPQFXLIZIMIOW-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-17-6-3-4-8-22(17)28-16-19(15-27-12-5-7-20(27)11-13-29)24(26-28)18-9-10-23(30-2)21(25)14-18/h3-4,6,8-10,14,16,20,29H,5,7,11-13,15H2,1-2H3/t20-/m0/s1.
What are the key properties of 2-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol?
2-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol has a molecular weight of 409.51 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 95889035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).