(E)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide

C26H25N3O — CID 19394828

About (E)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide

(E)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 19394828) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is (E)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
• PubChem CID: 19394828
• Molecular Formula: C26H25N3O
• Molecular Weight: 395.51 g/mol
• Exact Mass: 395.20
• IUPAC Name: (E)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
• SMILES: CC(C)c1ccc(/C=C/C(=O)Nc2ccn(Cc3cccc4ccccc34)n2)cc1
• InChI: InChI=1S/C26H25N3O/c1-19(2)21-13-10-20(11-14-21)12-15-26(30)27-25-16-17-29(28-25)18-23-8-5-7-22-6-3-4-9-24(22)23/h3-17,19H,18H2,1-2H3,(H,27,28,30)/b15-12+
• InChIKey: RTXZBKJYFNZVGK-NTCAYCPXSA-N
• XLogP: 5.86
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.51
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide?

The IUPAC name of (E)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 19394828) is (E)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide.

What is the SMILES notation for (E)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide?

The canonical SMILES for (E)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide is CC(C)c1ccc(/C=C/C(=O)Nc2ccn(Cc3cccc4ccccc34)n2)cc1.

What is the InChIKey of (E)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide?

The InChIKey is RTXZBKJYFNZVGK-NTCAYCPXSA-N. The full InChI is InChI=1S/C26H25N3O/c1-19(2)21-13-10-20(11-14-21)12-15-26(30)27-25-16-17-29(28-25)18-23-8-5-7-22-6-3-4-9-24(22)23/h3-17,19H,18H2,1-2H3,(H,27,28,30)/b15-12+.

What are the key properties of (E)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide?

(E)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 395.51 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 19394828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).