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

C26H23N3O2 — CID 2175719

IUPAC(Z)-N-(4-methoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C26H23N3O2/c1-19-8-10-20(11-9-19)26-21(18-29(28-26)23-6-4-3-5-7-23)12-17-25(30)27-22-13-15-24(31-2)16-14-22/h3-18H,1-2H3,(H,27,30)/b17-12-
InChIKeyNIJMJFICBBEJPP-ATVHPVEESA-N
MW409.49 g/mol
LogP5.51
Rot. Bonds6

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

(Z)-N-(4-methoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide (PubChem CID 2175719) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is (Z)-N-(4-methoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-methoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
PubChem CID2175719
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name(Z)-N-(4-methoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C26H23N3O2/c1-19-8-10-20(11-9-19)26-21(18-29(28-26)23-6-4-3-5-7-23)12-17-25(30)27-22-13-15-24(31-2)16-14-22/h3-18H,1-2H3,(H,27,30)/b17-12-
InChIKeyNIJMJFICBBEJPP-ATVHPVEESA-N
XLogP5.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide?
The IUPAC name of (Z)-N-(4-methoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide (CID 2175719) is (Z)-N-(4-methoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-methoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide?
The canonical SMILES for (Z)-N-(4-methoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide is COc1ccc(NC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of (Z)-N-(4-methoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide?
The InChIKey is NIJMJFICBBEJPP-ATVHPVEESA-N. The full InChI is InChI=1S/C26H23N3O2/c1-19-8-10-20(11-9-19)26-21(18-29(28-26)23-6-4-3-5-7-23)12-17-25(30)27-22-13-15-24(31-2)16-14-22/h3-18H,1-2H3,(H,27,30)/b17-12-.
What are the key properties of (Z)-N-(4-methoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide?
(Z)-N-(4-methoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide has a molecular weight of 409.49 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-methoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide is sourced from PubChem (CID 2175719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).