(E)-N-(2,4-dimethylphenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide

C18H23N3O — CID 832069

IUPAC(E)-N-(2,4-dimethylphenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide
SMILESCCn1nc(C)c(/C=C/C(=O)Nc2ccc(C)cc2C)c1C
InChIInChI=1S/C18H23N3O/c1-6-21-15(5)16(14(4)20-21)8-10-18(22)19-17-9-7-12(2)11-13(17)3/h7-11H,6H2,1-5H3,(H,19,22)/b10-8+
InChIKeyWNIUZTLCOAQDPF-CSKARUKUSA-N
MW297.40 g/mol
LogP3.79
Rot. Bonds4

About (E)-N-(2,4-dimethylphenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide

(E)-N-(2,4-dimethylphenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide (PubChem CID 832069) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (E)-N-(2,4-dimethylphenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,4-dimethylphenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide
PubChem CID832069
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(E)-N-(2,4-dimethylphenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide
SMILESCCn1nc(C)c(/C=C/C(=O)Nc2ccc(C)cc2C)c1C
InChIInChI=1S/C18H23N3O/c1-6-21-15(5)16(14(4)20-21)8-10-18(22)19-17-9-7-12(2)11-13(17)3/h7-11H,6H2,1-5H3,(H,19,22)/b10-8+
InChIKeyWNIUZTLCOAQDPF-CSKARUKUSA-N
XLogP3.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,4-dimethylphenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2,4-dimethylphenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide (CID 832069) is (E)-N-(2,4-dimethylphenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,4-dimethylphenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,4-dimethylphenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide is CCn1nc(C)c(/C=C/C(=O)Nc2ccc(C)cc2C)c1C.
What is the InChIKey of (E)-N-(2,4-dimethylphenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide?
The InChIKey is WNIUZTLCOAQDPF-CSKARUKUSA-N. The full InChI is InChI=1S/C18H23N3O/c1-6-21-15(5)16(14(4)20-21)8-10-18(22)19-17-9-7-12(2)11-13(17)3/h7-11H,6H2,1-5H3,(H,19,22)/b10-8+.
What are the key properties of (E)-N-(2,4-dimethylphenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide?
(E)-N-(2,4-dimethylphenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide has a molecular weight of 297.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,4-dimethylphenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 832069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).