(E)-3-(3,4-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide

C15H17N3O3 — CID 2426610

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cc(C)[nH]n2)cc1OC
InChIInChI=1S/C15H17N3O3/c1-10-8-14(18-17-10)16-15(19)7-5-11-4-6-12(20-2)13(9-11)21-3/h4-9H,1-3H3,(H2,16,17,18,19)/b7-5+
InChIKeyNHYNONRXNDWZDB-FNORWQNLSA-N
MW287.32 g/mol
LogP2.39
Rot. Bonds5

About (E)-3-(3,4-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide

(E)-3-(3,4-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide (PubChem CID 2426610) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
PubChem CID2426610
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cc(C)[nH]n2)cc1OC
InChIInChI=1S/C15H17N3O3/c1-10-8-14(18-17-10)16-15(19)7-5-11-4-6-12(20-2)13(9-11)21-3/h4-9H,1-3H3,(H2,16,17,18,19)/b7-5+
InChIKeyNHYNONRXNDWZDB-FNORWQNLSA-N
XLogP2.39
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide
CID 6281110
(E)-3-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 55028215
(E)-3-(3,4-dimethoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)prop-2-enamide
CID 2329721
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 84552797
(Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 2306389
(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880
3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 3618998
(E)-N-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 7914176
(E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide
CID 6366846
3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enamide
CID 71960697
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enamide
CID 71789950
(E)-3-(3,4-dimethoxyphenyl)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)prop-2-enamide
CID 122355888

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide (CID 2426610) is (E)-3-(3,4-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2cc(C)[nH]n2)cc1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide?
The InChIKey is NHYNONRXNDWZDB-FNORWQNLSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-8-14(18-17-10)16-15(19)7-5-11-4-6-12(20-2)13(9-11)21-3/h4-9H,1-3H3,(H2,16,17,18,19)/b7-5+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide has a molecular weight of 287.32 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 2426610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).