2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone

C19H15ClF3N3O2 — CID 58486975

IUPAC2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone
SMILESCOc1cc(-c2cc(C(F)(F)F)nn2C)cnc1C(=O)Cc1ccccc1Cl
InChIInChI=1S/C19H15ClF3N3O2/c1-26-14(9-17(25-26)19(21,22)23)12-8-16(28-2)18(24-10-12)15(27)7-11-5-3-4-6-13(11)20/h3-6,8-10H,7H2,1-2H3
InChIKeyAZOVDVLQKQTJRX-UHFFFAOYSA-N
MW409.80 g/mol
LogP4.59
Rot. Bonds5

About 2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone

2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone (PubChem CID 58486975) has the molecular formula C19H15ClF3N3O2 and a molecular weight of 409.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone
PubChem CID58486975
Molecular FormulaC19H15ClF3N3O2
Molecular Weight409.80 g/mol
Exact Mass409.08
IUPAC Name2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone
SMILESCOc1cc(-c2cc(C(F)(F)F)nn2C)cnc1C(=O)Cc1ccccc1Cl
InChIInChI=1S/C19H15ClF3N3O2/c1-26-14(9-17(25-26)19(21,22)23)12-8-16(28-2)18(24-10-12)15(27)7-11-5-3-4-6-13(11)20/h3-6,8-10H,7H2,1-2H3
InChIKeyAZOVDVLQKQTJRX-UHFFFAOYSA-N
XLogP4.59
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.80
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone (CID 58486975) is 2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone is COc1cc(-c2cc(C(F)(F)F)nn2C)cnc1C(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone?
The InChIKey is AZOVDVLQKQTJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O2/c1-26-14(9-17(25-26)19(21,22)23)12-8-16(28-2)18(24-10-12)15(27)7-11-5-3-4-6-13(11)20/h3-6,8-10H,7H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone?
2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone has a molecular weight of 409.80 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone is sourced from PubChem (CID 58486975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).