6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]quinoline-2-carbaldehyde

C15H10F3N3O — CID 140527253

IUPAC6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]quinoline-2-carbaldehyde
SMILESCn1nc(-c2ccc3nc(C=O)ccc3c2)cc1C(F)(F)F
InChIInChI=1S/C15H10F3N3O/c1-21-14(15(16,17)18)7-13(20-21)10-3-5-12-9(6-10)2-4-11(8-22)19-12/h2-8H,1H3
InChIKeyGEJLXEDROXNTGO-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.47
Rot. Bonds2

About 6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]quinoline-2-carbaldehyde

6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]quinoline-2-carbaldehyde (PubChem CID 140527253) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]quinoline-2-carbaldehyde.

Molecular Properties

Compound Name6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]quinoline-2-carbaldehyde
PubChem CID140527253
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]quinoline-2-carbaldehyde
SMILESCn1nc(-c2ccc3nc(C=O)ccc3c2)cc1C(F)(F)F
InChIInChI=1S/C15H10F3N3O/c1-21-14(15(16,17)18)7-13(20-21)10-3-5-12-9(6-10)2-4-11(8-22)19-12/h2-8H,1H3
InChIKeyGEJLXEDROXNTGO-UHFFFAOYSA-N
XLogP3.47
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]aniline
CID 89018490
6-[2-methyl-3-(trifluoromethyl)-3,4-dihydropyrazol-5-yl]quinoline-2-carbaldehyde
CID 89257137
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbaldehyde
CID 2775667
5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-1,2-oxazole
CID 69395912
1-methyl-3-naphthalen-2-ylpyrazole-5-carbaldehyde
CID 84761398
[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 58955857
[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] formate
CID 143747958
3-bromo-1-methyl-5-(trifluoromethyl)pyrazole
CID 105486135
2-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridazin-1-ium-1-yl]ethanesulfonic acid
CID 156626104
1-methyl-3-(5-methylsulfonylthiophen-2-yl)-5-(trifluoromethyl)pyrazole
CID 21349801
7-chloro-6-fluoroquinoline-2-carbaldehyde
CID 23359173
3-fluoro-1-methyl-5-(trifluoromethyl)pyrazole
CID 59173012

Frequently Asked Questions

What is the IUPAC name of 6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]quinoline-2-carbaldehyde?
The IUPAC name of 6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]quinoline-2-carbaldehyde (CID 140527253) is 6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]quinoline-2-carbaldehyde.
What is the SMILES notation for 6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]quinoline-2-carbaldehyde?
The canonical SMILES for 6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]quinoline-2-carbaldehyde is Cn1nc(-c2ccc3nc(C=O)ccc3c2)cc1C(F)(F)F.
What is the InChIKey of 6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]quinoline-2-carbaldehyde?
The InChIKey is GEJLXEDROXNTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c1-21-14(15(16,17)18)7-13(20-21)10-3-5-12-9(6-10)2-4-11(8-22)19-12/h2-8H,1H3.
What are the key properties of 6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]quinoline-2-carbaldehyde?
6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]quinoline-2-carbaldehyde has a molecular weight of 305.26 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]quinoline-2-carbaldehyde is sourced from PubChem (CID 140527253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).