3-(3-hydroxy-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]prop-2-enamide

C16H19N3O3 — CID 126801996

IUPAC3-(3-hydroxy-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NCCc2ccnn2C)cc1O
InChIInChI=1S/C16H19N3O3/c1-19-13(8-10-18-19)7-9-17-16(21)6-4-12-3-5-15(22-2)14(20)11-12/h3-6,8,10-11,20H,7,9H2,1-2H3,(H,17,21)
InChIKeyOJLPEPKNABFBFF-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.51
Rot. Bonds6

About 3-(3-hydroxy-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]prop-2-enamide

3-(3-hydroxy-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]prop-2-enamide (PubChem CID 126801996) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(3-hydroxy-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(3-hydroxy-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]prop-2-enamide
PubChem CID126801996
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-(3-hydroxy-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NCCc2ccnn2C)cc1O
InChIInChI=1S/C16H19N3O3/c1-19-13(8-10-18-19)7-9-17-16(21)6-4-12-3-5-15(22-2)14(20)11-12/h3-6,8,10-11,20H,7,9H2,1-2H3,(H,17,21)
InChIKeyOJLPEPKNABFBFF-UHFFFAOYSA-N
XLogP1.51
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-hydroxy-4-methoxyphenyl)-N-[2-[[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 155559259
(Z)-3-(3,4-dihydroxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 23276568
(E)-N-(2-cyclopropylethyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 86816342
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 23625459
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
CID 5280537
(1E,6E)-1-(3-hydroxy-4-methoxyphenyl)-7-(1-methylpyrazol-4-yl)hepta-1,6-diene-3,5-dione
CID 68571387
(Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 158723179
(E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 51351495
3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethylphenyl)ethyl]prop-2-enamide
CID 123868458
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 66805220
5-amino-2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004068
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(furan-3-yl)ethyl]prop-2-enamide
CID 90558341

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]prop-2-enamide?
The IUPAC name of 3-(3-hydroxy-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]prop-2-enamide (CID 126801996) is 3-(3-hydroxy-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]prop-2-enamide.
What is the SMILES notation for 3-(3-hydroxy-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]prop-2-enamide?
The canonical SMILES for 3-(3-hydroxy-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]prop-2-enamide is COc1ccc(C=CC(=O)NCCc2ccnn2C)cc1O.
What is the InChIKey of 3-(3-hydroxy-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]prop-2-enamide?
The InChIKey is OJLPEPKNABFBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-19-13(8-10-18-19)7-9-17-16(21)6-4-12-3-5-15(22-2)14(20)11-12/h3-6,8,10-11,20H,7,9H2,1-2H3,(H,17,21).
What are the key properties of 3-(3-hydroxy-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]prop-2-enamide?
3-(3-hydroxy-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]prop-2-enamide has a molecular weight of 301.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 126801996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).