4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-8-(trifluoromethyl)quinoline

C19H19F3N4 — CID 171679495

IUPAC4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-8-(trifluoromethyl)quinoline
SMILESCN1CCC(n2cc(-c3ccnc4c(C(F)(F)F)cccc34)cn2)CC1
InChIInChI=1S/C19H19F3N4/c1-25-9-6-14(7-10-25)26-12-13(11-24-26)15-5-8-23-18-16(15)3-2-4-17(18)19(20,21)22/h2-5,8,11-12,14H,6-7,9-10H2,1H3
InChIKeyXRYQMLNINRCOKZ-UHFFFAOYSA-N
MW360.38 g/mol
LogP4.38
Rot. Bonds2

About 4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-8-(trifluoromethyl)quinoline

4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-8-(trifluoromethyl)quinoline (PubChem CID 171679495) has the molecular formula C19H19F3N4 and a molecular weight of 360.38 g/mol. Its IUPAC name is 4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-8-(trifluoromethyl)quinoline
PubChem CID171679495
Molecular FormulaC19H19F3N4
Molecular Weight360.38 g/mol
Exact Mass360.16
IUPAC Name4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-8-(trifluoromethyl)quinoline
SMILESCN1CCC(n2cc(-c3ccnc4c(C(F)(F)F)cccc34)cn2)CC1
InChIInChI=1S/C19H19F3N4/c1-25-9-6-14(7-10-25)26-12-13(11-24-26)15-5-8-23-18-16(15)3-2-4-17(18)19(20,21)22/h2-5,8,11-12,14H,6-7,9-10H2,1H3
InChIKeyXRYQMLNINRCOKZ-UHFFFAOYSA-N
XLogP4.38
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-methyl-4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine
CID 170639587
4-[4-(4-bromophenyl)pyrazol-1-yl]-1-methylpiperidine
CID 170835984
4-chloro-7-methoxy-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoline
CID 171679503
4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethyl)quinoline;tetrahydrochloride
CID 171686354
3-(4-amino-2-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 146424750
2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;N-methyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 163849465
4-chloro-7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinazoline
CID 169231151
4-(4-bromopyrazol-1-yl)-1-methylpiperidine
CID 59599418
1-(1-methylpiperidin-4-yl)pyrazole-4-thiol
CID 149139949
4-(3-nitrophenyl)-8-(trifluoromethyl)quinoline
CID 174518716
N-ethyl-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
CID 174518869
4-[4-(3-methylsulfonylphenyl)-2-pyridinyl]-8-(trifluoromethyl)quinoline
CID 68877332

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-8-(trifluoromethyl)quinoline (CID 171679495) is 4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-8-(trifluoromethyl)quinoline is CN1CCC(n2cc(-c3ccnc4c(C(F)(F)F)cccc34)cn2)CC1.
What is the InChIKey of 4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-8-(trifluoromethyl)quinoline?
The InChIKey is XRYQMLNINRCOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4/c1-25-9-6-14(7-10-25)26-12-13(11-24-26)15-5-8-23-18-16(15)3-2-4-17(18)19(20,21)22/h2-5,8,11-12,14H,6-7,9-10H2,1H3.
What are the key properties of 4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-8-(trifluoromethyl)quinoline?
4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-8-(trifluoromethyl)quinoline has a molecular weight of 360.38 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 171679495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).