(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[(4-cyanophenyl)methyl]-N-propylprop-2-enamide

C19H21ClN4O — CID 134023409

IUPAC(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[(4-cyanophenyl)methyl]-N-propylprop-2-enamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1c(C)nn(C)c1Cl
InChIInChI=1S/C19H21ClN4O/c1-4-11-24(13-16-7-5-15(12-21)6-8-16)18(25)10-9-17-14(2)22-23(3)19(17)20/h5-10H,4,11,13H2,1-3H3/b10-9+
InChIKeyGTIBLNSVZQMUDU-MDZDMXLPSA-N
MW356.86 g/mol
LogP3.71
Rot. Bonds6

About (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[(4-cyanophenyl)methyl]-N-propylprop-2-enamide

(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[(4-cyanophenyl)methyl]-N-propylprop-2-enamide (PubChem CID 134023409) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[(4-cyanophenyl)methyl]-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[(4-cyanophenyl)methyl]-N-propylprop-2-enamide
PubChem CID134023409
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[(4-cyanophenyl)methyl]-N-propylprop-2-enamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1c(C)nn(C)c1Cl
InChIInChI=1S/C19H21ClN4O/c1-4-11-24(13-16-7-5-15(12-21)6-8-16)18(25)10-9-17-14(2)22-23(3)19(17)20/h5-10H,4,11,13H2,1-3H3/b10-9+
InChIKeyGTIBLNSVZQMUDU-MDZDMXLPSA-N
XLogP3.71
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[(4-cyanophenyl)methyl]-N-propylprop-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

3-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide
CID 2379230
3-(4-chlorophenyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylprop-2-enamide
CID 91800643
3-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-cyano-N-(propan-2-yl)prop-2-enamide
CID 2084602
(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]prop-2-enamide
CID 16289557
1-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 9734128
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylidene]-N,N'-bis(2-phenylethyl)propanediamide
CID 25638888
(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(4-methylphenyl)prop-2-enamide
CID 25688498
N-[(3-cyanophenyl)methyl]-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 32414529
N-[(4-cyanophenyl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 32427840
4-[[2-(5-Chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzamide
CID 72141600
3-[2-(5-Chloro-1,3-dimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 72143487
3-{5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}prop-2-enoic acid
CID 2113068

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[(4-cyanophenyl)methyl]-N-propylprop-2-enamide?
The IUPAC name of (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[(4-cyanophenyl)methyl]-N-propylprop-2-enamide (CID 134023409) is (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[(4-cyanophenyl)methyl]-N-propylprop-2-enamide.
What is the SMILES notation for (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[(4-cyanophenyl)methyl]-N-propylprop-2-enamide?
The canonical SMILES for (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[(4-cyanophenyl)methyl]-N-propylprop-2-enamide is CCCN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1c(C)nn(C)c1Cl.
What is the InChIKey of (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[(4-cyanophenyl)methyl]-N-propylprop-2-enamide?
The InChIKey is GTIBLNSVZQMUDU-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-4-11-24(13-16-7-5-15(12-21)6-8-16)18(25)10-9-17-14(2)22-23(3)19(17)20/h5-10H,4,11,13H2,1-3H3/b10-9+.
What are the key properties of (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[(4-cyanophenyl)methyl]-N-propylprop-2-enamide?
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[(4-cyanophenyl)methyl]-N-propylprop-2-enamide has a molecular weight of 356.86 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[(4-cyanophenyl)methyl]-N-propylprop-2-enamide is sourced from PubChem (CID 134023409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).