(E)-N-[3-(4-chloropyrazol-1-yl)propyl]-3-(5-nitrofuran-2-yl)prop-2-enamide

C13H13ClN4O4 — CID 19330216

IUPAC(E)-N-[3-(4-chloropyrazol-1-yl)propyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])o1)NCCCn1cc(Cl)cn1
InChIInChI=1S/C13H13ClN4O4/c14-10-8-16-17(9-10)7-1-6-15-12(19)4-2-11-3-5-13(22-11)18(20)21/h2-5,8-9H,1,6-7H2,(H,15,19)/b4-2+
InChIKeyNQPHPQAWDGXMEE-DUXPYHPUSA-N
MW324.72 g/mol
LogP2.26
Rot. Bonds7

About (E)-N-[3-(4-chloropyrazol-1-yl)propyl]-3-(5-nitrofuran-2-yl)prop-2-enamide

(E)-N-[3-(4-chloropyrazol-1-yl)propyl]-3-(5-nitrofuran-2-yl)prop-2-enamide (PubChem CID 19330216) has the molecular formula C13H13ClN4O4 and a molecular weight of 324.72 g/mol. Its IUPAC name is (E)-N-[3-(4-chloropyrazol-1-yl)propyl]-3-(5-nitrofuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(4-chloropyrazol-1-yl)propyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
PubChem CID19330216
Molecular FormulaC13H13ClN4O4
Molecular Weight324.72 g/mol
Exact Mass324.06
IUPAC Name(E)-N-[3-(4-chloropyrazol-1-yl)propyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])o1)NCCCn1cc(Cl)cn1
InChIInChI=1S/C13H13ClN4O4/c14-10-8-16-17(9-10)7-1-6-15-12(19)4-2-11-3-5-13(22-11)18(20)21/h2-5,8-9H,1,6-7H2,(H,15,19)/b4-2+
InChIKeyNQPHPQAWDGXMEE-DUXPYHPUSA-N
XLogP2.26
TPSA103.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.72
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-[3-(4-chloropyrazol-1-yl)propyl]-3-(5-nitrofuran-2-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-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 19292693
(E)-N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 19281917
(E)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 19283020
(E)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 17285265
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 9080802
(E)-N-[(4-methylphenyl)methyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 9085952
(E)-N-[2-(4-methoxyphenoxy)ethyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 8935851
N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19331985
(E)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 19408508
(E)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 19398846
(E)-3-(2-chlorophenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]prop-2-enamide
CID 19327940
N-[3-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 4765082

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(4-chloropyrazol-1-yl)propyl]-3-(5-nitrofuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(4-chloropyrazol-1-yl)propyl]-3-(5-nitrofuran-2-yl)prop-2-enamide (CID 19330216) is (E)-N-[3-(4-chloropyrazol-1-yl)propyl]-3-(5-nitrofuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(4-chloropyrazol-1-yl)propyl]-3-(5-nitrofuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(4-chloropyrazol-1-yl)propyl]-3-(5-nitrofuran-2-yl)prop-2-enamide is O=C(/C=C/c1ccc([N+](=O)[O-])o1)NCCCn1cc(Cl)cn1.
What is the InChIKey of (E)-N-[3-(4-chloropyrazol-1-yl)propyl]-3-(5-nitrofuran-2-yl)prop-2-enamide?
The InChIKey is NQPHPQAWDGXMEE-DUXPYHPUSA-N. The full InChI is InChI=1S/C13H13ClN4O4/c14-10-8-16-17(9-10)7-1-6-15-12(19)4-2-11-3-5-13(22-11)18(20)21/h2-5,8-9H,1,6-7H2,(H,15,19)/b4-2+.
What are the key properties of (E)-N-[3-(4-chloropyrazol-1-yl)propyl]-3-(5-nitrofuran-2-yl)prop-2-enamide?
(E)-N-[3-(4-chloropyrazol-1-yl)propyl]-3-(5-nitrofuran-2-yl)prop-2-enamide has a molecular weight of 324.72 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(4-chloropyrazol-1-yl)propyl]-3-(5-nitrofuran-2-yl)prop-2-enamide is sourced from PubChem (CID 19330216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).