2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide

C24H21F3N4O2 — CID 137425322

About 2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide

2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide (PubChem CID 137425322) has the molecular formula C24H21F3N4O2 and a molecular weight of 454.45 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide
• PubChem CID: 137425322
• Molecular Formula: C24H21F3N4O2
• Molecular Weight: 454.45 g/mol
• Exact Mass: 454.16
• IUPAC Name: 2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide
• SMILES: Cc1cc(-c2ccc3cc(C(F)(F)F)ccc3n2)ccc1N(C)C(=O)c1ccnn1CCO
• InChI: InChI=1S/C24H21F3N4O2/c1-15-13-16(19-6-3-17-14-18(24(25,26)27)5-7-20(17)29-19)4-8-21(15)30(2)23(33)22-9-10-28-31(22)11-12-32/h3-10,13-14,32H,11-12H2,1-2H3
• InChIKey: VWKLIUFIPZZRGP-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 71.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.45
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide?

The IUPAC name of 2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide (CID 137425322) is 2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide.

What is the SMILES notation for 2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide?

The canonical SMILES for 2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide is Cc1cc(-c2ccc3cc(C(F)(F)F)ccc3n2)ccc1N(C)C(=O)c1ccnn1CCO.

What is the InChIKey of 2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide?

The InChIKey is VWKLIUFIPZZRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2/c1-15-13-16(19-6-3-17-14-18(24(25,26)27)5-7-20(17)29-19)4-8-21(15)30(2)23(33)22-9-10-28-31(22)11-12-32/h3-10,13-14,32H,11-12H2,1-2H3.

What are the key properties of 2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide?

2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide has a molecular weight of 454.45 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 137425322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).