(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide

C21H21N3O3 — CID 55647282

IUPAC(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccccc2-n2cccn2)cc1OC
InChIInChI=1S/C21H21N3O3/c1-3-27-19-11-9-16(15-20(19)26-2)10-12-21(25)23-17-7-4-5-8-18(17)24-14-6-13-22-24/h4-15H,3H2,1-2H3,(H,23,25)/b12-10+
InChIKeyKNAUOYWWCSOOJI-ZRDIBKRKSA-N
MW363.42 g/mol
LogP3.93
Rot. Bonds7

About (E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide

(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide (PubChem CID 55647282) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is (E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide
PubChem CID55647282
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccccc2-n2cccn2)cc1OC
InChIInChI=1S/C21H21N3O3/c1-3-27-19-11-9-16(15-20(19)26-2)10-12-21(25)23-17-7-4-5-8-18(17)24-14-6-13-22-24/h4-15H,3H2,1-2H3,(H,23,25)/b12-10+
InChIKeyKNAUOYWWCSOOJI-ZRDIBKRKSA-N
XLogP3.93
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.93
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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Related Compounds

3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 732806
N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5073679
(E)-3-(3-ethoxy-4-propoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 55611611
(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide
CID 35371477
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 30884925
N-[2-(difluoromethoxy)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 102603110
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 26955538
N-[2-(4-bromopyrazol-1-yl)phenyl]-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enamide
CID 75878290
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953622
N-[2,5-diethoxy-4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 19185153
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 30884903
3-(3,4-diethoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 78780835

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide (CID 55647282) is (E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide is CCOc1ccc(/C=C/C(=O)Nc2ccccc2-n2cccn2)cc1OC.
What is the InChIKey of (E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide?
The InChIKey is KNAUOYWWCSOOJI-ZRDIBKRKSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-3-27-19-11-9-16(15-20(19)26-2)10-12-21(25)23-17-7-4-5-8-18(17)24-14-6-13-22-24/h4-15H,3H2,1-2H3,(H,23,25)/b12-10+.
What are the key properties of (E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide?
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide has a molecular weight of 363.42 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 55647282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).