[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(2-methylmorpholin-4-yl)methanone

C16H15ClF3N3O2 — CID 46536673

IUPAC[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)CCO1
InChIInChI=1S/C16H15ClF3N3O2/c1-10-9-22(6-7-25-10)15(24)13-8-21-23(14(13)16(18,19)20)12-4-2-11(17)3-5-12/h2-5,8,10H,6-7,9H2,1H3
InChIKeyVYULTBVGEIZZFJ-UHFFFAOYSA-N
MW373.76 g/mol
LogP3.41
Rot. Bonds2

About [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(2-methylmorpholin-4-yl)methanone

[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(2-methylmorpholin-4-yl)methanone (PubChem CID 46536673) has the molecular formula C16H15ClF3N3O2 and a molecular weight of 373.76 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(2-methylmorpholin-4-yl)methanone
PubChem CID46536673
Molecular FormulaC16H15ClF3N3O2
Molecular Weight373.76 g/mol
Exact Mass373.08
IUPAC Name[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)CCO1
InChIInChI=1S/C16H15ClF3N3O2/c1-10-9-22(6-7-25-10)15(24)13-8-21-23(14(13)16(18,19)20)12-4-2-11(17)3-5-12/h2-5,8,10H,6-7,9H2,1H3
InChIKeyVYULTBVGEIZZFJ-UHFFFAOYSA-N
XLogP3.41
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.76
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 21105026
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 30766526
4-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239800
[4-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 55879028
[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 97344994
(3-aminopiperidin-1-yl)-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 119380884
[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 37281544
[(2R)-2-methylmorpholin-4-yl]-[5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone
CID 39699339
[3-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 119492597
4-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239330
1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 11474632
[1-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 30767867

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(2-methylmorpholin-4-yl)methanone (CID 46536673) is [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(2-methylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)CCO1.
What is the InChIKey of [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(2-methylmorpholin-4-yl)methanone?
The InChIKey is VYULTBVGEIZZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O2/c1-10-9-22(6-7-25-10)15(24)13-8-21-23(14(13)16(18,19)20)12-4-2-11(17)3-5-12/h2-5,8,10H,6-7,9H2,1H3.
What are the key properties of [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(2-methylmorpholin-4-yl)methanone?
[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(2-methylmorpholin-4-yl)methanone has a molecular weight of 373.76 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 46536673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).