2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-1,2,3,4-tetrahydroquinoline

C14H14F3N3 — CID 81223986

IUPAC2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cc(-n3cc(C(F)(F)F)cn3)ccc2N1
InChIInChI=1S/C14H14F3N3/c1-9-2-3-10-6-12(4-5-13(10)19-9)20-8-11(7-18-20)14(15,16)17/h4-9,19H,2-3H2,1H3
InChIKeyPLNPLHLWQBRSRY-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.64
Rot. Bonds1

About 2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-1,2,3,4-tetrahydroquinoline

2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-1,2,3,4-tetrahydroquinoline (PubChem CID 81223986) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-1,2,3,4-tetrahydroquinoline
PubChem CID81223986
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cc(-n3cc(C(F)(F)F)cn3)ccc2N1
InChIInChI=1S/C14H14F3N3/c1-9-2-3-10-6-12(4-5-13(10)19-9)20-8-11(7-18-20)14(15,16)17/h4-9,19H,2-3H2,1H3
InChIKeyPLNPLHLWQBRSRY-UHFFFAOYSA-N
XLogP3.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-1,2,3,4-tetrahydroquinoline (CID 81223986) is 2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-1,2,3,4-tetrahydroquinoline is CC1CCc2cc(-n3cc(C(F)(F)F)cn3)ccc2N1.
What is the InChIKey of 2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is PLNPLHLWQBRSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-9-2-3-10-6-12(4-5-13(10)19-9)20-8-11(7-18-20)14(15,16)17/h4-9,19H,2-3H2,1H3.
What are the key properties of 2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-1,2,3,4-tetrahydroquinoline?
2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 281.28 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81223986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).