N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-[3-(difluoromethyl)phenyl]pyrazol-4-yl]propanamide;4-fluorohex-1-ene

C25H30F3N5O — CID 176713808

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-[3-(difluoromethyl)phenyl]pyrazol-4-yl]propanamide;4-fluorohex-1-ene

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-[3-(difluoromethyl)phenyl]pyrazol-4-yl]propanamide;4-fluorohex-1-ene (PubChem CID 176713808) has the molecular formula C25H30F3N5O and a molecular weight of 473.54 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-[3-(difluoromethyl)phenyl]pyrazol-4-yl]propanamide;4-fluorohex-1-ene.

Molecular Properties

• Compound Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-[3-(difluoromethyl)phenyl]pyrazol-4-yl]propanamide;4-fluorohex-1-ene
• PubChem CID: 176713808
• Molecular Formula: C25H30F3N5O
• Molecular Weight: 473.54 g/mol
• Exact Mass: 473.24
• IUPAC Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-[3-(difluoromethyl)phenyl]pyrazol-4-yl]propanamide;4-fluorohex-1-ene
• SMILES: C=CCC(F)CC.CC(C(=O)Nc1cc(C2CC2)[nH]n1)c1cnn(-c2cccc(C(F)F)c2)c1
• InChI: InChI=1S/C19H19F2N5O.C6H11F/c1-11(19(27)23-17-8-16(24-25-17)12-5-6-12)14-9-22-26(10-14)15-4-2-3-13(7-15)18(20)21;1-3-5-6(7)4-2/h2-4,7-12,18H,5-6H2,1H3,(H2,23,24,25,27);3,6H,1,4-5H2,2H3
• InChIKey: CONVDZKJPOQSDL-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 75.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.54
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-[3-(difluoromethyl)phenyl]pyrazol-4-yl]propanamide;4-fluorohex-1-ene?

The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-[3-(difluoromethyl)phenyl]pyrazol-4-yl]propanamide;4-fluorohex-1-ene (CID 176713808) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-[3-(difluoromethyl)phenyl]pyrazol-4-yl]propanamide;4-fluorohex-1-ene.

What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-[3-(difluoromethyl)phenyl]pyrazol-4-yl]propanamide;4-fluorohex-1-ene?

The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-[3-(difluoromethyl)phenyl]pyrazol-4-yl]propanamide;4-fluorohex-1-ene is C=CCC(F)CC.CC(C(=O)Nc1cc(C2CC2)[nH]n1)c1cnn(-c2cccc(C(F)F)c2)c1.

What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-[3-(difluoromethyl)phenyl]pyrazol-4-yl]propanamide;4-fluorohex-1-ene?

The InChIKey is CONVDZKJPOQSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O.C6H11F/c1-11(19(27)23-17-8-16(24-25-17)12-5-6-12)14-9-22-26(10-14)15-4-2-3-13(7-15)18(20)21;1-3-5-6(7)4-2/h2-4,7-12,18H,5-6H2,1H3,(H2,23,24,25,27);3,6H,1,4-5H2,2H3.

What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-[3-(difluoromethyl)phenyl]pyrazol-4-yl]propanamide;4-fluorohex-1-ene?

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-[3-(difluoromethyl)phenyl]pyrazol-4-yl]propanamide;4-fluorohex-1-ene has a molecular weight of 473.54 g/mol, XLogP of 6.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-[3-(difluoromethyl)phenyl]pyrazol-4-yl]propanamide;4-fluorohex-1-ene is sourced from PubChem (CID 176713808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).