(Z)-3-(4-methoxyphenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide

C19H17N3O2 — CID 118731081

IUPAC(Z)-3-(4-methoxyphenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCOc1ccc(/C=C\C(=O)Nc2cc(-c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C19H17N3O2/c1-24-16-10-7-14(8-11-16)9-12-19(23)20-18-13-17(21-22-18)15-5-3-2-4-6-15/h2-13H,1H3,(H2,20,21,22,23)/b12-9-
InChIKeyIZBYEFZRUCPPSB-XFXZXTDPSA-N
MW319.36 g/mol
LogP3.74
Rot. Bonds5

About (Z)-3-(4-methoxyphenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide

(Z)-3-(4-methoxyphenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide (PubChem CID 118731081) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is (Z)-3-(4-methoxyphenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-methoxyphenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide
PubChem CID118731081
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name(Z)-3-(4-methoxyphenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCOc1ccc(/C=C\C(=O)Nc2cc(-c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C19H17N3O2/c1-24-16-10-7-14(8-11-16)9-12-19(23)20-18-13-17(21-22-18)15-5-3-2-4-6-15/h2-13H,1H3,(H2,20,21,22,23)/b12-9-
InChIKeyIZBYEFZRUCPPSB-XFXZXTDPSA-N
XLogP3.74
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.74
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 (Z)-3-(4-methoxyphenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide?
The IUPAC name of (Z)-3-(4-methoxyphenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide (CID 118731081) is (Z)-3-(4-methoxyphenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(4-methoxyphenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-(4-methoxyphenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide is COc1ccc(/C=C\C(=O)Nc2cc(-c3ccccc3)[nH]n2)cc1.
What is the InChIKey of (Z)-3-(4-methoxyphenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide?
The InChIKey is IZBYEFZRUCPPSB-XFXZXTDPSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-24-16-10-7-14(8-11-16)9-12-19(23)20-18-13-17(21-22-18)15-5-3-2-4-6-15/h2-13H,1H3,(H2,20,21,22,23)/b12-9-.
What are the key properties of (Z)-3-(4-methoxyphenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide?
(Z)-3-(4-methoxyphenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide has a molecular weight of 319.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-methoxyphenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 118731081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).