7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline

C15H17F2N3 — CID 121278303

IUPAC7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC1CCNc2cc(C(F)F)c(-c3cnn(C)c3)cc21
InChIInChI=1S/C15H17F2N3/c1-9-3-4-18-14-6-13(15(16)17)12(5-11(9)14)10-7-19-20(2)8-10/h5-9,15,18H,3-4H2,1-2H3
InChIKeyRGBJXHVMUGMZSW-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.94
Rot. Bonds2

About 7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline

7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 121278303) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID121278303
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC1CCNc2cc(C(F)F)c(-c3cnn(C)c3)cc21
InChIInChI=1S/C15H17F2N3/c1-9-3-4-18-14-6-13(15(16)17)12(5-11(9)14)10-7-19-20(2)8-10/h5-9,15,18H,3-4H2,1-2H3
InChIKeyRGBJXHVMUGMZSW-UHFFFAOYSA-N
XLogP3.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-7-(difluoromethyl)-1,4-dimethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 121373401
1-[3-[7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121365495
(4R)-4-methyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile
CID 121382772
5-chloro-6-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
CID 121365355
4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
CID 116698328
4-(2-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole
CID 121383013
1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 153438000
5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 166976538
7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-1-thiophen-3-yl-3,4-dihydro-2H-quinoline
CID 175866923
1-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(4-piperazin-1-ylcyclohexyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 176983445
5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-methyl-2-methylidene-1,4-dihydroquinazoline
CID 145408766
(5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 139570976

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline (CID 121278303) is 7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline is CC1CCNc2cc(C(F)F)c(-c3cnn(C)c3)cc21.
What is the InChIKey of 7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is RGBJXHVMUGMZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c1-9-3-4-18-14-6-13(15(16)17)12(5-11(9)14)10-7-19-20(2)8-10/h5-9,15,18H,3-4H2,1-2H3.
What are the key properties of 7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline?
7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 277.32 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 121278303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).