5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide

C18H19F3N6O — CID 42519084

About 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide

5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide (PubChem CID 42519084) has the molecular formula C18H19F3N6O and a molecular weight of 392.39 g/mol. Its IUPAC name is 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide
• PubChem CID: 42519084
• Molecular Formula: C18H19F3N6O
• Molecular Weight: 392.39 g/mol
• Exact Mass: 392.16
• IUPAC Name: 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide
• SMILES: CC(C)c1nccn1Cc1cc(C(=O)N[C@H](c2cccnc2)C(F)(F)F)n[nH]1
• InChI: InChI=1S/C18H19F3N6O/c1-11(2)16-23-6-7-27(16)10-13-8-14(26-25-13)17(28)24-15(18(19,20)21)12-4-3-5-22-9-12/h3-9,11,15H,10H2,1-2H3,(H,24,28)(H,25,26)/t15-/m1/s1
• InChIKey: LSERZSXIJHLEPW-OAHLLOKOSA-N
• XLogP: 3.21
• TPSA: 88.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.39
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide (CID 42519084) is 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide.

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

The canonical SMILES for 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide is CC(C)c1nccn1Cc1cc(C(=O)N[C@H](c2cccnc2)C(F)(F)F)n[nH]1.

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

The InChIKey is LSERZSXIJHLEPW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19F3N6O/c1-11(2)16-23-6-7-27(16)10-13-8-14(26-25-13)17(28)24-15(18(19,20)21)12-4-3-5-22-9-12/h3-9,11,15H,10H2,1-2H3,(H,24,28)(H,25,26)/t15-/m1/s1.

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

5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 392.39 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42519084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).