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

C13H11Cl2N3O — CID 55260405

IUPAC(E)-3-(2,5-dichlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2cc(Cl)ccc2Cl)n[nH]1
InChIInChI=1S/C13H11Cl2N3O/c1-8-6-12(18-17-8)16-13(19)5-2-9-7-10(14)3-4-11(9)15/h2-7H,1H3,(H2,16,17,18,19)/b5-2+
InChIKeyIRKIXCGNHZEMRE-GORDUTHDSA-N
MW296.16 g/mol
LogP3.68
Rot. Bonds3

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

(E)-3-(2,5-dichlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide (PubChem CID 55260405) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is (E)-3-(2,5-dichlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,5-dichlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
PubChem CID55260405
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name(E)-3-(2,5-dichlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2cc(Cl)ccc2Cl)n[nH]1
InChIInChI=1S/C13H11Cl2N3O/c1-8-6-12(18-17-8)16-13(19)5-2-9-7-10(14)3-4-11(9)15/h2-7H,1H3,(H2,16,17,18,19)/b5-2+
InChIKeyIRKIXCGNHZEMRE-GORDUTHDSA-N
XLogP3.68
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 55028215
3-(2-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 78952338
3-(2,4-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 78952320
(E)-3-(2,5-dichlorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide
CID 83102269
N-(5-methyl-1H-pyrazol-3-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 77020045
(E)-3-(3-chloro-4-fluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619569
(E)-3-(3,4-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 2426610
(E)-3-(3,5-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619610
(E)-N-(5-methyl-1H-pyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 63819721
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 84552797
(E)-3-(2,5-dichlorophenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 55810478
(E)-3-(2-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide
CID 115621183

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dichlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(2,5-dichlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide (CID 55260405) is (E)-3-(2,5-dichlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,5-dichlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,5-dichlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide is Cc1cc(NC(=O)/C=C/c2cc(Cl)ccc2Cl)n[nH]1.
What is the InChIKey of (E)-3-(2,5-dichlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide?
The InChIKey is IRKIXCGNHZEMRE-GORDUTHDSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c1-8-6-12(18-17-8)16-13(19)5-2-9-7-10(14)3-4-11(9)15/h2-7H,1H3,(H2,16,17,18,19)/b5-2+.
What are the key properties of (E)-3-(2,5-dichlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide?
(E)-3-(2,5-dichlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide has a molecular weight of 296.16 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-dichlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 55260405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).