[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C20H15ClF3N3O — CID 57458707

IUPAC[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cc(C(F)(F)F)nn1-c1ccccc1Cl)N1CCCc2ccccc21
InChIInChI=1S/C20H15ClF3N3O/c21-14-8-2-4-10-16(14)27-17(12-18(25-27)20(22,23)24)19(28)26-11-5-7-13-6-1-3-9-15(13)26/h1-4,6,8-10,12H,5,7,11H2
InChIKeySJHXVBYPCIIPQT-UHFFFAOYSA-N
MW405.81 g/mol
LogP5.14
Rot. Bonds2

About [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 57458707) has the molecular formula C20H15ClF3N3O and a molecular weight of 405.81 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID57458707
Molecular FormulaC20H15ClF3N3O
Molecular Weight405.81 g/mol
Exact Mass405.09
IUPAC Name[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cc(C(F)(F)F)nn1-c1ccccc1Cl)N1CCCc2ccccc21
InChIInChI=1S/C20H15ClF3N3O/c21-14-8-2-4-10-16(14)27-17(12-18(25-27)20(22,23)24)19(28)26-11-5-7-13-6-1-3-9-15(13)26/h1-4,6,8-10,12H,5,7,11H2
InChIKeySJHXVBYPCIIPQT-UHFFFAOYSA-N
XLogP5.14
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.81
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 57458673
[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 57458691
1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 57458606
ethyl 1-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]piperidine-2-carboxylate
CID 59240234
ethyl 1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxylate
CID 59240163
N-(4-bromophenyl)-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 59240027
(4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81226103
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-3-carboxylic acid
CID 117218335
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 57458428
1-(2-chlorophenyl)-N-(3-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 57458231
(3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 23120300

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 57458707) is [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1cc(C(F)(F)F)nn1-c1ccccc1Cl)N1CCCc2ccccc21.
What is the InChIKey of [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is SJHXVBYPCIIPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3O/c21-14-8-2-4-10-16(14)27-17(12-18(25-27)20(22,23)24)19(28)26-11-5-7-13-6-1-3-9-15(13)26/h1-4,6,8-10,12H,5,7,11H2.
What are the key properties of [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 405.81 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 57458707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).