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

C16H19N3O3 — CID 19340489

IUPAC(E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCOCn1cc(NC(=O)/C=C/c2ccc(OC)cc2)cn1
InChIInChI=1S/C16H19N3O3/c1-3-22-12-19-11-14(10-17-19)18-16(20)9-6-13-4-7-15(21-2)8-5-13/h4-11H,3,12H2,1-2H3,(H,18,20)/b9-6+
InChIKeyOZKPMXNGYPRUKG-RMKNXTFCSA-N
MW301.35 g/mol
LogP2.54
Rot. Bonds7

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

(E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 19340489) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID19340489
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCOCn1cc(NC(=O)/C=C/c2ccc(OC)cc2)cn1
InChIInChI=1S/C16H19N3O3/c1-3-22-12-19-11-14(10-17-19)18-16(20)9-6-13-4-7-15(21-2)8-5-13/h4-11H,3,12H2,1-2H3,(H,18,20)/b9-6+
InChIKeyOZKPMXNGYPRUKG-RMKNXTFCSA-N
XLogP2.54
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.54
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

(E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide
CID 19340508
(E)-3-(4-fluorophenyl)-N-[1-(methoxymethyl)pyrazol-4-yl]prop-2-enamide
CID 19410926
(E)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 19404843
(Z)-3-(4-acetamidophenyl)-N-(1-propylpyrazol-4-yl)prop-2-enamide
CID 97359500
(E)-3-(4-methoxyphenyl)-N-(2-methoxypyrimidin-5-yl)prop-2-enamide
CID 122301600
N-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19340567
3-(4-methoxyphenyl)-N-nonylprop-2-enamide
CID 4278604
(E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 954315
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(Z)-3-[4-(difluoromethoxy)phenyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]prop-2-enamide
CID 19397952
(E)-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 2547662
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide (CID 19340489) is (E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide is CCOCn1cc(NC(=O)/C=C/c2ccc(OC)cc2)cn1.
What is the InChIKey of (E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is OZKPMXNGYPRUKG-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-22-12-19-11-14(10-17-19)18-16(20)9-6-13-4-7-15(21-2)8-5-13/h4-11H,3,12H2,1-2H3,(H,18,20)/b9-6+.
What are the key properties of (E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 301.35 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 19340489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).