(E)-3-(4-methoxyphenyl)-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]prop-2-enamide

C20H19N3O2 — CID 118731096

IUPAC(E)-3-(4-methoxyphenyl)-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cc(-c3ccc(C)cc3)[nH]n2)cc1
InChIInChI=1S/C20H19N3O2/c1-14-3-8-16(9-4-14)18-13-19(23-22-18)21-20(24)12-7-15-5-10-17(25-2)11-6-15/h3-13H,1-2H3,(H2,21,22,23,24)/b12-7+
InChIKeyZDBUJSGQHHZANH-KPKJPENVSA-N
MW333.39 g/mol
LogP4.05
Rot. Bonds5

About (E)-3-(4-methoxyphenyl)-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]prop-2-enamide (PubChem CID 118731096) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]prop-2-enamide
PubChem CID118731096
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(E)-3-(4-methoxyphenyl)-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cc(-c3ccc(C)cc3)[nH]n2)cc1
InChIInChI=1S/C20H19N3O2/c1-14-3-8-16(9-4-14)18-13-19(23-22-18)21-20(24)12-7-15-5-10-17(25-2)11-6-15/h3-13H,1-2H3,(H2,21,22,23,24)/b12-7+
InChIKeyZDBUJSGQHHZANH-KPKJPENVSA-N
XLogP4.05
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.05
H-Bond Donors ≤ 52
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 (E)-3-(4-methoxyphenyl)-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]prop-2-enamide (CID 118731096) is (E)-3-(4-methoxyphenyl)-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2cc(-c3ccc(C)cc3)[nH]n2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]prop-2-enamide?
The InChIKey is ZDBUJSGQHHZANH-KPKJPENVSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-3-8-16(9-4-14)18-13-19(23-22-18)21-20(24)12-7-15-5-10-17(25-2)11-6-15/h3-13H,1-2H3,(H2,21,22,23,24)/b12-7+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]prop-2-enamide has a molecular weight of 333.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]prop-2-enamide is sourced from PubChem (CID 118731096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).