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

C26H23N3O3 — CID 2295078

IUPAC(Z)-N-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H23N3O3/c1-31-23-13-8-19(9-14-23)26-20(18-29(28-26)22-6-4-3-5-7-22)10-17-25(30)27-21-11-15-24(32-2)16-12-21/h3-18H,1-2H3,(H,27,30)/b17-10-
InChIKeyQGIYEQYJTDMZOH-YVLHZVERSA-N
MW425.49 g/mol
LogP5.21
Rot. Bonds7

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

(Z)-N-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide (PubChem CID 2295078) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is (Z)-N-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
PubChem CID2295078
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name(Z)-N-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H23N3O3/c1-31-23-13-8-19(9-14-23)26-20(18-29(28-26)22-6-4-3-5-7-22)10-17-25(30)27-21-11-15-24(32-2)16-12-21/h3-18H,1-2H3,(H,27,30)/b17-10-
InChIKeyQGIYEQYJTDMZOH-YVLHZVERSA-N
XLogP5.21
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide?
The IUPAC name of (Z)-N-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide (CID 2295078) is (Z)-N-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide?
The canonical SMILES for (Z)-N-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide is COc1ccc(NC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of (Z)-N-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide?
The InChIKey is QGIYEQYJTDMZOH-YVLHZVERSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-31-23-13-8-19(9-14-23)26-20(18-29(28-26)22-6-4-3-5-7-22)10-17-25(30)27-21-11-15-24(32-2)16-12-21/h3-18H,1-2H3,(H,27,30)/b17-10-.
What are the key properties of (Z)-N-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide?
(Z)-N-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide has a molecular weight of 425.49 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide is sourced from PubChem (CID 2295078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).