(Z)-3-[4-(difluoromethoxy)phenyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]prop-2-enamide

C24H19F2N3O2 — CID 19397952

About (Z)-3-[4-(difluoromethoxy)phenyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]prop-2-enamide

(Z)-3-[4-(difluoromethoxy)phenyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]prop-2-enamide (PubChem CID 19397952) has the molecular formula C24H19F2N3O2 and a molecular weight of 419.43 g/mol. Its IUPAC name is (Z)-3-[4-(difluoromethoxy)phenyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]prop-2-enamide.

Molecular Properties

• Compound Name: (Z)-3-[4-(difluoromethoxy)phenyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]prop-2-enamide
• PubChem CID: 19397952
• Molecular Formula: C24H19F2N3O2
• Molecular Weight: 419.43 g/mol
• Exact Mass: 419.14
• IUPAC Name: (Z)-3-[4-(difluoromethoxy)phenyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]prop-2-enamide
• SMILES: O=C(/C=C\c1ccc(OC(F)F)cc1)Nc1cnn(Cc2cccc3ccccc23)c1
• InChI: InChI=1S/C24H19F2N3O2/c25-24(26)31-21-11-8-17(9-12-21)10-13-23(30)28-20-14-27-29(16-20)15-19-6-3-5-18-4-1-2-7-22(18)19/h1-14,16,24H,15H2,(H,28,30)/b13-10-
• InChIKey: BRVFVIDHXFRAFH-RAXLEYEMSA-N
• XLogP: 5.34
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.43
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-(difluoromethoxy)phenyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]prop-2-enamide?

The IUPAC name of (Z)-3-[4-(difluoromethoxy)phenyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]prop-2-enamide (CID 19397952) is (Z)-3-[4-(difluoromethoxy)phenyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]prop-2-enamide.

What is the SMILES notation for (Z)-3-[4-(difluoromethoxy)phenyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]prop-2-enamide?

The canonical SMILES for (Z)-3-[4-(difluoromethoxy)phenyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]prop-2-enamide is O=C(/C=C\c1ccc(OC(F)F)cc1)Nc1cnn(Cc2cccc3ccccc23)c1.

What is the InChIKey of (Z)-3-[4-(difluoromethoxy)phenyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]prop-2-enamide?

The InChIKey is BRVFVIDHXFRAFH-RAXLEYEMSA-N. The full InChI is InChI=1S/C24H19F2N3O2/c25-24(26)31-21-11-8-17(9-12-21)10-13-23(30)28-20-14-27-29(16-20)15-19-6-3-5-18-4-1-2-7-22(18)19/h1-14,16,24H,15H2,(H,28,30)/b13-10-.

What are the key properties of (Z)-3-[4-(difluoromethoxy)phenyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]prop-2-enamide?

(Z)-3-[4-(difluoromethoxy)phenyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]prop-2-enamide has a molecular weight of 419.43 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-[4-(difluoromethoxy)phenyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]prop-2-enamide is sourced from PubChem (CID 19397952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).