[2-(4-chlorophenyl)morpholin-4-yl]-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone

C22H19ClF3N3O3 — CID 55947639

IUPAC[2-(4-chlorophenyl)morpholin-4-yl]-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
SMILESCOc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H19ClF3N3O3/c1-31-19-13-29(17-4-2-3-15(11-17)22(24,25)26)27-20(19)21(30)28-9-10-32-18(12-28)14-5-7-16(23)8-6-14/h2-8,11,13,18H,9-10,12H2,1H3
InChIKeyWRJQAKUBWMMATQ-UHFFFAOYSA-N
MW465.86 g/mol
LogP4.77
Rot. Bonds4

About [2-(4-chlorophenyl)morpholin-4-yl]-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone

[2-(4-chlorophenyl)morpholin-4-yl]-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone (PubChem CID 55947639) has the molecular formula C22H19ClF3N3O3 and a molecular weight of 465.86 g/mol. Its IUPAC name is [2-(4-chlorophenyl)morpholin-4-yl]-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)morpholin-4-yl]-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
PubChem CID55947639
Molecular FormulaC22H19ClF3N3O3
Molecular Weight465.86 g/mol
Exact Mass465.11
IUPAC Name[2-(4-chlorophenyl)morpholin-4-yl]-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
SMILESCOc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H19ClF3N3O3/c1-31-19-13-29(17-4-2-3-15(11-17)22(24,25)26)27-20(19)21(30)28-9-10-32-18(12-28)14-5-7-16(23)8-6-14/h2-8,11,13,18H,9-10,12H2,1H3
InChIKeyWRJQAKUBWMMATQ-UHFFFAOYSA-N
XLogP4.77
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.86
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4-chlorophenyl)morpholin-4-yl]-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone 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-hydroxy-1-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 166225003
(4-chlorophenyl)methyl 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 18272683
(4-chloro-2-methoxyphenyl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95203094
[4-(azepan-1-ylmethyl)piperidin-1-yl]-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
CID 55980227
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
CID 56807375
[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 97350041
[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 55685195
4-methoxy-N-(4-morpholin-4-ylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 24621815
[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 55512361
2-[4-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55512346
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(6-methoxy-2,3-dihydro-1H-inden-5-yl)methanone
CID 95195384
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(3-methoxy-2-pyridinyl)methanone
CID 95199203

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)morpholin-4-yl]-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone?
The IUPAC name of [2-(4-chlorophenyl)morpholin-4-yl]-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone (CID 55947639) is [2-(4-chlorophenyl)morpholin-4-yl]-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone.
What is the SMILES notation for [2-(4-chlorophenyl)morpholin-4-yl]-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone?
The canonical SMILES for [2-(4-chlorophenyl)morpholin-4-yl]-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone is COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of [2-(4-chlorophenyl)morpholin-4-yl]-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone?
The InChIKey is WRJQAKUBWMMATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N3O3/c1-31-19-13-29(17-4-2-3-15(11-17)22(24,25)26)27-20(19)21(30)28-9-10-32-18(12-28)14-5-7-16(23)8-6-14/h2-8,11,13,18H,9-10,12H2,1H3.
What are the key properties of [2-(4-chlorophenyl)morpholin-4-yl]-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone?
[2-(4-chlorophenyl)morpholin-4-yl]-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone has a molecular weight of 465.86 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)morpholin-4-yl]-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone is sourced from PubChem (CID 55947639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).