2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide

C18H16F5N5O — CID 19532306

About 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide (PubChem CID 19532306) has the molecular formula C18H16F5N5O and a molecular weight of 413.35 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide.

Molecular Properties

• Compound Name: 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide
• PubChem CID: 19532306
• Molecular Formula: C18H16F5N5O
• Molecular Weight: 413.35 g/mol
• Exact Mass: 413.13
• IUPAC Name: 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide
• SMILES: CC(C(=O)Nc1ccn(Cc2cccc(F)c2)n1)n1nc(C(F)F)cc1C(F)F
• InChI: InChI=1S/C18H16F5N5O/c1-10(28-14(17(22)23)8-13(25-28)16(20)21)18(29)24-15-5-6-27(26-15)9-11-3-2-4-12(19)7-11/h2-8,10,16-17H,9H2,1H3,(H,24,26,29)
• InChIKey: UBUKPOVZRGATKZ-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.35
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide?

The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide (CID 19532306) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide.

What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide?

The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide is CC(C(=O)Nc1ccn(Cc2cccc(F)c2)n1)n1nc(C(F)F)cc1C(F)F.

What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide?

The InChIKey is UBUKPOVZRGATKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F5N5O/c1-10(28-14(17(22)23)8-13(25-28)16(20)21)18(29)24-15-5-6-27(26-15)9-11-3-2-4-12(19)7-11/h2-8,10,16-17H,9H2,1H3,(H,24,26,29).

What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide?

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide has a molecular weight of 413.35 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 19532306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).