(E)-N-[3-(N-ethylanilino)propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide

C18H24N4O — CID 24654920

IUPAC(E)-N-[3-(N-ethylanilino)propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
SMILESCCN(CCCNC(=O)/C=C/c1cnn(C)c1)c1ccccc1
InChIInChI=1S/C18H24N4O/c1-3-22(17-8-5-4-6-9-17)13-7-12-19-18(23)11-10-16-14-20-21(2)15-16/h4-6,8-11,14-15H,3,7,12-13H2,1-2H3,(H,19,23)/b11-10+
InChIKeyKMAHPFBVPNCOAO-ZHACJKMWSA-N
MW312.42 g/mol
LogP2.47
Rot. Bonds8

About (E)-N-[3-(N-ethylanilino)propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide

(E)-N-[3-(N-ethylanilino)propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide (PubChem CID 24654920) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (E)-N-[3-(N-ethylanilino)propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(N-ethylanilino)propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
PubChem CID24654920
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(E)-N-[3-(N-ethylanilino)propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
SMILESCCN(CCCNC(=O)/C=C/c1cnn(C)c1)c1ccccc1
InChIInChI=1S/C18H24N4O/c1-3-22(17-8-5-4-6-9-17)13-7-12-19-18(23)11-10-16-14-20-21(2)15-16/h4-6,8-11,14-15H,3,7,12-13H2,1-2H3,(H,19,23)/b11-10+
InChIKeyKMAHPFBVPNCOAO-ZHACJKMWSA-N
XLogP2.47
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[3-(N-ethylanilino)propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[3-(N-ethylanilino)propyl]-3-(2-nitrophenyl)prop-2-enamide
CID 24654889
(E)-N-[3-(2-fluorophenoxy)propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 39483334
(E)-N-butyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 47118618
N-(2,2-diphenylpropyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 74290300
(E)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 19293644
(E)-N-[3-(N-ethylanilino)propyl]-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enamide
CID 37244959
3-(N-ethylanilino)propylurea
CID 112708177
(E)-3-(1-methylpyrazol-4-yl)-N-[(E)-pent-3-enyl]prop-2-enamide
CID 115628045
2-[2-[3-(1-methylpyrazol-4-yl)prop-2-enoylamino]ethoxy]acetic acid
CID 79457633
N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 4166232
methyl N-[3-(N-ethylanilino)propyl]carbamate
CID 22765561
(Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 98926306

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(N-ethylanilino)propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(N-ethylanilino)propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide (CID 24654920) is (E)-N-[3-(N-ethylanilino)propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(N-ethylanilino)propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(N-ethylanilino)propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide is CCN(CCCNC(=O)/C=C/c1cnn(C)c1)c1ccccc1.
What is the InChIKey of (E)-N-[3-(N-ethylanilino)propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The InChIKey is KMAHPFBVPNCOAO-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-22(17-8-5-4-6-9-17)13-7-12-19-18(23)11-10-16-14-20-21(2)15-16/h4-6,8-11,14-15H,3,7,12-13H2,1-2H3,(H,19,23)/b11-10+.
What are the key properties of (E)-N-[3-(N-ethylanilino)propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide?
(E)-N-[3-(N-ethylanilino)propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide has a molecular weight of 312.42 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(N-ethylanilino)propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 24654920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).