[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

C21H17F4N3O — CID 55581576

IUPAC[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)cnn1-c1ccccc1F
InChIInChI=1S/C21H17F4N3O/c1-13-16(12-26-28(13)19-7-3-2-6-17(19)22)20(29)27-10-4-5-14-11-15(21(23,24)25)8-9-18(14)27/h2-3,6-9,11-12H,4-5,10H2,1H3
InChIKeyAYEHGDGXJZMFDM-UHFFFAOYSA-N
MW403.38 g/mol
LogP4.93
Rot. Bonds2

About [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 55581576) has the molecular formula C21H17F4N3O and a molecular weight of 403.38 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID55581576
Molecular FormulaC21H17F4N3O
Molecular Weight403.38 g/mol
Exact Mass403.13
IUPAC Name[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)cnn1-c1ccccc1F
InChIInChI=1S/C21H17F4N3O/c1-13-16(12-26-28(13)19-7-3-2-6-17(19)22)20(29)27-10-4-5-14-11-15(21(23,24)25)8-9-18(14)27/h2-3,6-9,11-12H,4-5,10H2,1H3
InChIKeyAYEHGDGXJZMFDM-UHFFFAOYSA-N
XLogP4.93
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.38
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone with MolForge

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Related Compounds

(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 55881783
(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 55671504
(2-methylquinolin-4-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840743
(4-fluorophenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31839765
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 134026359
(4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 134023843
thiophen-3-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31843246
(3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840032
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38169423
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone
CID 47168679
(5-methylimidazo[1,2-a]pyridin-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 55582024
(5-chlorothiophen-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840933

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 55581576) is [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is Cc1c(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)cnn1-c1ccccc1F.
What is the InChIKey of [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is AYEHGDGXJZMFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N3O/c1-13-16(12-26-28(13)19-7-3-2-6-17(19)22)20(29)27-10-4-5-14-11-15(21(23,24)25)8-9-18(14)27/h2-3,6-9,11-12H,4-5,10H2,1H3.
What are the key properties of [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 403.38 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 55581576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).