3-[(3S)-pyrrolidin-3-yl]-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole

C16H18F3N3O — CID 95832176

IUPAC3-[(3S)-pyrrolidin-3-yl]-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole
SMILESFC(F)(F)c1cccc(OCCc2cc([C@H]3CCNC3)n[nH]2)c1
InChIInChI=1S/C16H18F3N3O/c17-16(18,19)12-2-1-3-14(8-12)23-7-5-13-9-15(22-21-13)11-4-6-20-10-11/h1-3,8-9,11,20H,4-7,10H2,(H,21,22)/t11-/m0/s1
InChIKeyQPOXUWAYFUSXCN-NSHDSACASA-N
MW325.33 g/mol
LogP3.13
Rot. Bonds5

About 3-[(3S)-pyrrolidin-3-yl]-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole

3-[(3S)-pyrrolidin-3-yl]-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole (PubChem CID 95832176) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is 3-[(3S)-pyrrolidin-3-yl]-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole.

Molecular Properties

Compound Name3-[(3S)-pyrrolidin-3-yl]-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole
PubChem CID95832176
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name3-[(3S)-pyrrolidin-3-yl]-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole
SMILESFC(F)(F)c1cccc(OCCc2cc([C@H]3CCNC3)n[nH]2)c1
InChIInChI=1S/C16H18F3N3O/c17-16(18,19)12-2-1-3-14(8-12)23-7-5-13-9-15(22-21-13)11-4-6-20-10-11/h1-3,8-9,11,20H,4-7,10H2,(H,21,22)/t11-/m0/s1
InChIKeyQPOXUWAYFUSXCN-NSHDSACASA-N
XLogP3.13
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3S)-pyrrolidin-3-yl]-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole 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

4-[[3-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
CID 110268467
1-methyl-5-[[(3R)-3-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyrazole
CID 95831704
5-[2-(2-chlorophenoxy)ethyl]-3-[(3R)-pyrrolidin-3-yl]-1H-pyrazole
CID 95804657
5-[2-(2-chlorophenoxy)ethyl]-3-[(3S)-pyrrolidin-3-yl]-1H-pyrazole
CID 95804658
(2R)-4-propan-2-yl-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine
CID 124956360
(2-methylpyrazol-3-yl)-[(3S)-3-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
CID 95831685
3-[[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
CID 110267631
1-[(2R)-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone
CID 125002810
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
CID 95831773
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
5-[(2-fluorophenoxy)methyl]-3-pyrrolidin-3-yl-1H-pyrazole
CID 110089342
pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
CID 110267649

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-pyrrolidin-3-yl]-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole?
The IUPAC name of 3-[(3S)-pyrrolidin-3-yl]-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole (CID 95832176) is 3-[(3S)-pyrrolidin-3-yl]-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole.
What is the SMILES notation for 3-[(3S)-pyrrolidin-3-yl]-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole?
The canonical SMILES for 3-[(3S)-pyrrolidin-3-yl]-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole is FC(F)(F)c1cccc(OCCc2cc([C@H]3CCNC3)n[nH]2)c1.
What is the InChIKey of 3-[(3S)-pyrrolidin-3-yl]-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole?
The InChIKey is QPOXUWAYFUSXCN-NSHDSACASA-N. The full InChI is InChI=1S/C16H18F3N3O/c17-16(18,19)12-2-1-3-14(8-12)23-7-5-13-9-15(22-21-13)11-4-6-20-10-11/h1-3,8-9,11,20H,4-7,10H2,(H,21,22)/t11-/m0/s1.
What are the key properties of 3-[(3S)-pyrrolidin-3-yl]-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole?
3-[(3S)-pyrrolidin-3-yl]-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole has a molecular weight of 325.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-pyrrolidin-3-yl]-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole is sourced from PubChem (CID 95832176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).