(3-methylphenyl)-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone

C15H10F3N3O — CID 162674607

IUPAC(3-methylphenyl)-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone
SMILESCc1cccc(C(=O)n2nc(C(F)(F)F)c3cnccc32)c1
InChIInChI=1S/C15H10F3N3O/c1-9-3-2-4-10(7-9)14(22)21-12-5-6-19-8-11(12)13(20-21)15(16,17)18/h2-8H,1H3
InChIKeyFJKRTJBVLFBRJQ-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.45
Rot. Bonds1

About (3-methylphenyl)-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone

(3-methylphenyl)-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone (PubChem CID 162674607) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is (3-methylphenyl)-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone
PubChem CID162674607
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name(3-methylphenyl)-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone
SMILESCc1cccc(C(=O)n2nc(C(F)(F)F)c3cnccc32)c1
InChIInChI=1S/C15H10F3N3O/c1-9-3-2-4-10(7-9)14(22)21-12-5-6-19-8-11(12)13(20-21)15(16,17)18/h2-8H,1H3
InChIKeyFJKRTJBVLFBRJQ-UHFFFAOYSA-N
XLogP3.45
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone?
The IUPAC name of (3-methylphenyl)-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone (CID 162674607) is (3-methylphenyl)-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone.
What is the SMILES notation for (3-methylphenyl)-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone?
The canonical SMILES for (3-methylphenyl)-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone is Cc1cccc(C(=O)n2nc(C(F)(F)F)c3cnccc32)c1.
What is the InChIKey of (3-methylphenyl)-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone?
The InChIKey is FJKRTJBVLFBRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c1-9-3-2-4-10(7-9)14(22)21-12-5-6-19-8-11(12)13(20-21)15(16,17)18/h2-8H,1H3.
What are the key properties of (3-methylphenyl)-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone?
(3-methylphenyl)-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone has a molecular weight of 305.26 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone is sourced from PubChem (CID 162674607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).