1-methyl-3-(2-methylpropyl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazole-5-carboxamide

C16H19F3N4O — CID 97113329

About 1-methyl-3-(2-methylpropyl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazole-5-carboxamide

1-methyl-3-(2-methylpropyl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazole-5-carboxamide (PubChem CID 97113329) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-methyl-3-(2-methylpropyl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-3-(2-methylpropyl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazole-5-carboxamide
• PubChem CID: 97113329
• Molecular Formula: C16H19F3N4O
• Molecular Weight: 340.35 g/mol
• Exact Mass: 340.15
• IUPAC Name: 1-methyl-3-(2-methylpropyl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazole-5-carboxamide
• SMILES: CC(C)Cc1cc(C(=O)N[C@H](c2ccccn2)C(F)(F)F)n(C)n1
• InChI: InChI=1S/C16H19F3N4O/c1-10(2)8-11-9-13(23(3)22-11)15(24)21-14(16(17,18)19)12-6-4-5-7-20-12/h4-7,9-10,14H,8H2,1-3H3,(H,21,24)/t14-/m1/s1
• InChIKey: FRQGWWQVAITHLI-CQSZACIVSA-N
• XLogP: 3.05
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.35
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylpropyl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazole-5-carboxamide?

The IUPAC name of 1-methyl-3-(2-methylpropyl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazole-5-carboxamide (CID 97113329) is 1-methyl-3-(2-methylpropyl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazole-5-carboxamide.

What is the SMILES notation for 1-methyl-3-(2-methylpropyl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazole-5-carboxamide?

The canonical SMILES for 1-methyl-3-(2-methylpropyl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazole-5-carboxamide is CC(C)Cc1cc(C(=O)N[C@H](c2ccccn2)C(F)(F)F)n(C)n1.

What is the InChIKey of 1-methyl-3-(2-methylpropyl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazole-5-carboxamide?

The InChIKey is FRQGWWQVAITHLI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-10(2)8-11-9-13(23(3)22-11)15(24)21-14(16(17,18)19)12-6-4-5-7-20-12/h4-7,9-10,14H,8H2,1-3H3,(H,21,24)/t14-/m1/s1.

What are the key properties of 1-methyl-3-(2-methylpropyl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazole-5-carboxamide?

1-methyl-3-(2-methylpropyl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazole-5-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-(2-methylpropyl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 97113329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).