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

C25H20ClN3O — CID 2423687

IUPAC(Z)-N-(4-chlorophenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H20ClN3O/c1-18-7-9-19(10-8-18)25-20(17-29(28-25)23-5-3-2-4-6-23)11-16-24(30)27-22-14-12-21(26)13-15-22/h2-17H,1H3,(H,27,30)/b16-11-
InChIKeyYHIMFDYBXCAUHH-WJDWOHSUSA-N
MW413.91 g/mol
LogP6.15
Rot. Bonds5

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

(Z)-N-(4-chlorophenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide (PubChem CID 2423687) has the molecular formula C25H20ClN3O and a molecular weight of 413.91 g/mol. Its IUPAC name is (Z)-N-(4-chlorophenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-chlorophenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
PubChem CID2423687
Molecular FormulaC25H20ClN3O
Molecular Weight413.91 g/mol
Exact Mass413.13
IUPAC Name(Z)-N-(4-chlorophenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H20ClN3O/c1-18-7-9-19(10-8-18)25-20(17-29(28-25)23-5-3-2-4-6-23)11-16-24(30)27-22-14-12-21(26)13-15-22/h2-17H,1H3,(H,27,30)/b16-11-
InChIKeyYHIMFDYBXCAUHH-WJDWOHSUSA-N
XLogP6.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.91
LogP ≤ 56.15
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)-N-(4-chlorophenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide?
The IUPAC name of (Z)-N-(4-chlorophenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide (CID 2423687) is (Z)-N-(4-chlorophenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-chlorophenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide?
The canonical SMILES for (Z)-N-(4-chlorophenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide is Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of (Z)-N-(4-chlorophenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide?
The InChIKey is YHIMFDYBXCAUHH-WJDWOHSUSA-N. The full InChI is InChI=1S/C25H20ClN3O/c1-18-7-9-19(10-8-18)25-20(17-29(28-25)23-5-3-2-4-6-23)11-16-24(30)27-22-14-12-21(26)13-15-22/h2-17H,1H3,(H,27,30)/b16-11-.
What are the key properties of (Z)-N-(4-chlorophenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide?
(Z)-N-(4-chlorophenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide has a molecular weight of 413.91 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-chlorophenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide is sourced from PubChem (CID 2423687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).