(E)-N-(1,3-diphenylpyrazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide

C24H18N4O3 — CID 11531647

IUPAC(E)-N-(1,3-diphenylpyrazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C24H18N4O3/c29-24(16-13-18-11-14-21(15-12-18)28(30)31)25-23-17-22(19-7-3-1-4-8-19)26-27(23)20-9-5-2-6-10-20/h1-17H,(H,25,29)/b16-13+
InChIKeyRXGKEAWLRDYIJZ-DTQAZKPQSA-N
MW410.43 g/mol
LogP5.10
Rot. Bonds6

About (E)-N-(1,3-diphenylpyrazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide

(E)-N-(1,3-diphenylpyrazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 11531647) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is (E)-N-(1,3-diphenylpyrazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,3-diphenylpyrazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide
PubChem CID11531647
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC Name(E)-N-(1,3-diphenylpyrazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C24H18N4O3/c29-24(16-13-18-11-14-21(15-12-18)28(30)31)25-23-17-22(19-7-3-1-4-8-19)26-27(23)20-9-5-2-6-10-20/h1-17H,(H,25,29)/b16-13+
InChIKeyRXGKEAWLRDYIJZ-DTQAZKPQSA-N
XLogP5.10
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,3-diphenylpyrazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(1,3-diphenylpyrazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide (CID 11531647) is (E)-N-(1,3-diphenylpyrazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1,3-diphenylpyrazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(1,3-diphenylpyrazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide is O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of (E)-N-(1,3-diphenylpyrazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is RXGKEAWLRDYIJZ-DTQAZKPQSA-N. The full InChI is InChI=1S/C24H18N4O3/c29-24(16-13-18-11-14-21(15-12-18)28(30)31)25-23-17-22(19-7-3-1-4-8-19)26-27(23)20-9-5-2-6-10-20/h1-17H,(H,25,29)/b16-13+.
What are the key properties of (E)-N-(1,3-diphenylpyrazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide?
(E)-N-(1,3-diphenylpyrazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 410.43 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,3-diphenylpyrazol-5-yl)-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 11531647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).