(Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide

C25H21N3O — CID 2173124

IUPAC(Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H21N3O/c1-19-12-14-20(15-13-19)25-21(18-28(27-25)23-10-6-3-7-11-23)16-17-24(29)26-22-8-4-2-5-9-22/h2-18H,1H3,(H,26,29)/b17-16-
InChIKeyPYOTXVJVEPUUQB-MSUUIHNZSA-N
MW379.46 g/mol
LogP5.50
Rot. Bonds5

About (Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide

(Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide (PubChem CID 2173124) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is (Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide
PubChem CID2173124
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC Name(Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H21N3O/c1-19-12-14-20(15-13-19)25-21(18-28(27-25)23-10-6-3-7-11-23)16-17-24(29)26-22-8-4-2-5-9-22/h2-18H,1H3,(H,26,29)/b17-16-
InChIKeyPYOTXVJVEPUUQB-MSUUIHNZSA-N
XLogP5.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide?
The IUPAC name of (Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide (CID 2173124) is (Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide.
What is the SMILES notation for (Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide?
The canonical SMILES for (Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide is Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)Nc2ccccc2)cc1.
What is the InChIKey of (Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide?
The InChIKey is PYOTXVJVEPUUQB-MSUUIHNZSA-N. The full InChI is InChI=1S/C25H21N3O/c1-19-12-14-20(15-13-19)25-21(18-28(27-25)23-10-6-3-7-11-23)16-17-24(29)26-22-8-4-2-5-9-22/h2-18H,1H3,(H,26,29)/b17-16-.
What are the key properties of (Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide?
(Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide has a molecular weight of 379.46 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide is sourced from PubChem (CID 2173124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).