[2-chloro-3-(trifluoromethyl)phenyl]-[1,5-dimethyl-3-(2-methylpyrazol-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone

C20H19ClF3N5O — CID 90409642

About [2-chloro-3-(trifluoromethyl)phenyl]-[1,5-dimethyl-3-(2-methylpyrazol-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone

[2-chloro-3-(trifluoromethyl)phenyl]-[1,5-dimethyl-3-(2-methylpyrazol-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone (PubChem CID 90409642) has the molecular formula C20H19ClF3N5O and a molecular weight of 437.85 g/mol. Its IUPAC name is [2-chloro-3-(trifluoromethyl)phenyl]-[1,5-dimethyl-3-(2-methylpyrazol-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone.

Molecular Properties

• Compound Name: [2-chloro-3-(trifluoromethyl)phenyl]-[1,5-dimethyl-3-(2-methylpyrazol-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone
• PubChem CID: 90409642
• Molecular Formula: C20H19ClF3N5O
• Molecular Weight: 437.85 g/mol
• Exact Mass: 437.12
• IUPAC Name: [2-chloro-3-(trifluoromethyl)phenyl]-[1,5-dimethyl-3-(2-methylpyrazol-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone
• SMILES: CC1Cc2c(-c3ccnn3C)nn(C)c2CN1C(=O)c1cccc(C(F)(F)F)c1Cl
• InChI: InChI=1S/C20H19ClF3N5O/c1-11-9-13-16(28(3)26-18(13)15-7-8-25-27(15)2)10-29(11)19(30)12-5-4-6-14(17(12)21)20(22,23)24/h4-8,11H,9-10H2,1-3H3
• InChIKey: WNKFRMPTORTTKZ-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 55.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.85
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-[1,5-dimethyl-3-(2-methylpyrazol-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone?

The IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-[1,5-dimethyl-3-(2-methylpyrazol-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone (CID 90409642) is [2-chloro-3-(trifluoromethyl)phenyl]-[1,5-dimethyl-3-(2-methylpyrazol-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone.

What is the SMILES notation for [2-chloro-3-(trifluoromethyl)phenyl]-[1,5-dimethyl-3-(2-methylpyrazol-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone?

The canonical SMILES for [2-chloro-3-(trifluoromethyl)phenyl]-[1,5-dimethyl-3-(2-methylpyrazol-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone is CC1Cc2c(-c3ccnn3C)nn(C)c2CN1C(=O)c1cccc(C(F)(F)F)c1Cl.

What is the InChIKey of [2-chloro-3-(trifluoromethyl)phenyl]-[1,5-dimethyl-3-(2-methylpyrazol-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone?

The InChIKey is WNKFRMPTORTTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N5O/c1-11-9-13-16(28(3)26-18(13)15-7-8-25-27(15)2)10-29(11)19(30)12-5-4-6-14(17(12)21)20(22,23)24/h4-8,11H,9-10H2,1-3H3.

What are the key properties of [2-chloro-3-(trifluoromethyl)phenyl]-[1,5-dimethyl-3-(2-methylpyrazol-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone?

[2-chloro-3-(trifluoromethyl)phenyl]-[1,5-dimethyl-3-(2-methylpyrazol-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone has a molecular weight of 437.85 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-chloro-3-(trifluoromethyl)phenyl]-[1,5-dimethyl-3-(2-methylpyrazol-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone is sourced from PubChem (CID 90409642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).