1-propan-2-yl-6-(1-propan-2-ylpyrazol-4-yl)-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline

C19H24F3N3 — CID 177122886

IUPAC1-propan-2-yl-6-(1-propan-2-ylpyrazol-4-yl)-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline
SMILESCC(C)N1CCCc2cc(-c3cnn(C(C)C)c3)c(C(F)(F)F)cc21
InChIInChI=1S/C19H24F3N3/c1-12(2)24-7-5-6-14-8-16(15-10-23-25(11-15)13(3)4)17(9-18(14)24)19(20,21)22/h8-13H,5-7H2,1-4H3
InChIKeyJNPVZMWHFVEGQY-UHFFFAOYSA-N
MW351.42 g/mol
LogP5.31
Rot. Bonds3

About 1-propan-2-yl-6-(1-propan-2-ylpyrazol-4-yl)-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline

1-propan-2-yl-6-(1-propan-2-ylpyrazol-4-yl)-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline (PubChem CID 177122886) has the molecular formula C19H24F3N3 and a molecular weight of 351.42 g/mol. Its IUPAC name is 1-propan-2-yl-6-(1-propan-2-ylpyrazol-4-yl)-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-propan-2-yl-6-(1-propan-2-ylpyrazol-4-yl)-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline
PubChem CID177122886
Molecular FormulaC19H24F3N3
Molecular Weight351.42 g/mol
Exact Mass351.19
IUPAC Name1-propan-2-yl-6-(1-propan-2-ylpyrazol-4-yl)-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline
SMILESCC(C)N1CCCc2cc(-c3cnn(C(C)C)c3)c(C(F)(F)F)cc21
InChIInChI=1S/C19H24F3N3/c1-12(2)24-7-5-6-14-8-16(15-10-23-25(11-15)13(3)4)17(9-18(14)24)19(20,21)22/h8-13H,5-7H2,1-4H3
InChIKeyJNPVZMWHFVEGQY-UHFFFAOYSA-N
XLogP5.31
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.42
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 132169928
CID 132169928
6-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 132181706
4-[5-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 155528192
US11673883, Example 31
CID 132166416
1-(2,3-dimethylphenyl)-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine
CID 50972529
5-(5-Tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-1-(2,2,2-trifluoroethyl)pyrazole
CID 72697529
1-Methyl-4-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]piperidine
CID 57309726
1-[6-(1-Methylpyrazol-4-YL)-3,4-dihydro-2H-quinolin-1-YL]ethanone
CID 122567949
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1-methylpyrazol-4-amine;hydrochloride
CID 10394021
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1-methylpyrazol-4-amine
CID 10394022
3-[(6-Methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)diazenyl]-1-(trifluoromethyl)pyrazole-4-carbonitrile
CID 20650686
2,4-Dimethyl-5-[1-methyl-4,5-bis(trifluoromethyl)pyrazol-3-yl]aniline;propane
CID 54204147

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-6-(1-propan-2-ylpyrazol-4-yl)-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-propan-2-yl-6-(1-propan-2-ylpyrazol-4-yl)-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline (CID 177122886) is 1-propan-2-yl-6-(1-propan-2-ylpyrazol-4-yl)-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-propan-2-yl-6-(1-propan-2-ylpyrazol-4-yl)-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-propan-2-yl-6-(1-propan-2-ylpyrazol-4-yl)-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline is CC(C)N1CCCc2cc(-c3cnn(C(C)C)c3)c(C(F)(F)F)cc21.
What is the InChIKey of 1-propan-2-yl-6-(1-propan-2-ylpyrazol-4-yl)-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline?
The InChIKey is JNPVZMWHFVEGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3/c1-12(2)24-7-5-6-14-8-16(15-10-23-25(11-15)13(3)4)17(9-18(14)24)19(20,21)22/h8-13H,5-7H2,1-4H3.
What are the key properties of 1-propan-2-yl-6-(1-propan-2-ylpyrazol-4-yl)-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline?
1-propan-2-yl-6-(1-propan-2-ylpyrazol-4-yl)-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline has a molecular weight of 351.42 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-6-(1-propan-2-ylpyrazol-4-yl)-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 177122886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).