1-methyl-N-[3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]pyrazole-3-carboxamide

C19H19F3N6O2 — CID 19563725

About 1-methyl-N-[3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]pyrazole-3-carboxamide

1-methyl-N-[3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]pyrazole-3-carboxamide (PubChem CID 19563725) has the molecular formula C19H19F3N6O2 and a molecular weight of 420.40 g/mol. Its IUPAC name is 1-methyl-N-[3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]pyrazole-3-carboxamide
• PubChem CID: 19563725
• Molecular Formula: C19H19F3N6O2
• Molecular Weight: 420.40 g/mol
• Exact Mass: 420.15
• IUPAC Name: 1-methyl-N-[3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]pyrazole-3-carboxamide
• SMILES: Cc1cc(C(F)(F)F)nn1CCC(=O)Nc1cccc(NC(=O)c2ccn(C)n2)c1
• InChI: InChI=1S/C19H19F3N6O2/c1-12-10-16(19(20,21)22)26-28(12)9-7-17(29)23-13-4-3-5-14(11-13)24-18(30)15-6-8-27(2)25-15/h3-6,8,10-11H,7,9H2,1-2H3,(H,23,29)(H,24,30)
• InChIKey: LGPSEWZRMQEKBS-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 93.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.40
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]pyrazole-3-carboxamide?

The IUPAC name of 1-methyl-N-[3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]pyrazole-3-carboxamide (CID 19563725) is 1-methyl-N-[3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]pyrazole-3-carboxamide.

What is the SMILES notation for 1-methyl-N-[3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]pyrazole-3-carboxamide?

The canonical SMILES for 1-methyl-N-[3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]pyrazole-3-carboxamide is Cc1cc(C(F)(F)F)nn1CCC(=O)Nc1cccc(NC(=O)c2ccn(C)n2)c1.

What is the InChIKey of 1-methyl-N-[3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]pyrazole-3-carboxamide?

The InChIKey is LGPSEWZRMQEKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O2/c1-12-10-16(19(20,21)22)26-28(12)9-7-17(29)23-13-4-3-5-14(11-13)24-18(30)15-6-8-27(2)25-15/h3-6,8,10-11H,7,9H2,1-2H3,(H,23,29)(H,24,30).

What are the key properties of 1-methyl-N-[3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]pyrazole-3-carboxamide?

1-methyl-N-[3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]pyrazole-3-carboxamide has a molecular weight of 420.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19563725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).