(E)-N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide

C20H18N6O2 — CID 17121190

IUPAC(E)-N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2c(C#N)cnn2-c2nc(C)cc(C)n2)cc1
InChIInChI=1S/C20H18N6O2/c1-13-10-14(2)24-20(23-13)26-19(16(11-21)12-22-26)25-18(27)9-6-15-4-7-17(28-3)8-5-15/h4-10,12H,1-3H3,(H,25,27)/b9-6+
InChIKeySJIOIJJJARIJTQ-RMKNXTFCSA-N
MW374.40 g/mol
LogP2.81
Rot. Bonds5

About (E)-N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 17121190) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is (E)-N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID17121190
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name(E)-N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2c(C#N)cnn2-c2nc(C)cc(C)n2)cc1
InChIInChI=1S/C20H18N6O2/c1-13-10-14(2)24-20(23-13)26-19(16(11-21)12-22-26)25-18(27)9-6-15-4-7-17(28-3)8-5-15/h4-10,12H,1-3H3,(H,25,27)/b9-6+
InChIKeySJIOIJJJARIJTQ-RMKNXTFCSA-N
XLogP2.81
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (E)-N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide with MolForge

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Related Compounds

1-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]-3-phenylurea
CID 17067816
methyl 4-[(E)-3-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)amino]-3-oxoprop-1-enyl]benzoate
CID 108738023
(E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 108760960
[4-[(E)-3-[(4-cyano-1-quinolin-2-ylpyrazol-5-yl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 108769379
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
(E)-3-(4-methoxyphenyl)-N-(2-methoxypyrimidin-5-yl)prop-2-enamide
CID 122301600
(E)-3-(4-cyanophenyl)-N-(3,5-dimethoxyphenyl)prop-2-enamide
CID 9096818
(E)-N-(2-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 26522932
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
(Z)-N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 108769375
(E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 790357

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide (CID 17121190) is (E)-N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2c(C#N)cnn2-c2nc(C)cc(C)n2)cc1.
What is the InChIKey of (E)-N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is SJIOIJJJARIJTQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-13-10-14(2)24-20(23-13)26-19(16(11-21)12-22-26)25-18(27)9-6-15-4-7-17(28-3)8-5-15/h4-10,12H,1-3H3,(H,25,27)/b9-6+.
What are the key properties of (E)-N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 374.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 17121190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).