[(Z)-4-[1-(4-chlorophenyl)pyrazol-3-yl]oxybut-2-en-2-yl] N-methoxycarbamate

C15H16ClN3O4 — CID 140658305

IUPAC[(Z)-4-[1-(4-chlorophenyl)pyrazol-3-yl]oxybut-2-en-2-yl] N-methoxycarbamate
SMILESCONC(=O)O/C(C)=C\COc1ccn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H16ClN3O4/c1-11(23-15(20)18-21-2)8-10-22-14-7-9-19(17-14)13-5-3-12(16)4-6-13/h3-9H,10H2,1-2H3,(H,18,20)/b11-8-
InChIKeyWFIHLDGIZKFKEX-FLIBITNWSA-N
MW337.76 g/mol
LogP3.10
Rot. Bonds6

About [(Z)-4-[1-(4-chlorophenyl)pyrazol-3-yl]oxybut-2-en-2-yl] N-methoxycarbamate

[(Z)-4-[1-(4-chlorophenyl)pyrazol-3-yl]oxybut-2-en-2-yl] N-methoxycarbamate (PubChem CID 140658305) has the molecular formula C15H16ClN3O4 and a molecular weight of 337.76 g/mol. Its IUPAC name is [(Z)-4-[1-(4-chlorophenyl)pyrazol-3-yl]oxybut-2-en-2-yl] N-methoxycarbamate.

Molecular Properties

Compound Name[(Z)-4-[1-(4-chlorophenyl)pyrazol-3-yl]oxybut-2-en-2-yl] N-methoxycarbamate
PubChem CID140658305
Molecular FormulaC15H16ClN3O4
Molecular Weight337.76 g/mol
Exact Mass337.08
IUPAC Name[(Z)-4-[1-(4-chlorophenyl)pyrazol-3-yl]oxybut-2-en-2-yl] N-methoxycarbamate
SMILESCONC(=O)O/C(C)=C\COc1ccn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H16ClN3O4/c1-11(23-15(20)18-21-2)8-10-22-14-7-9-19(17-14)13-5-3-12(16)4-6-13/h3-9H,10H2,1-2H3,(H,18,20)/b11-8-
InChIKeyWFIHLDGIZKFKEX-FLIBITNWSA-N
XLogP3.10
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-chlorophenyl)pyrazol-3-yl]oxyacetaldehyde
CID 121269425
2-methoxyimino-N,3-dimethyl-5-[1-(4-methylphenyl)pyrazol-3-yl]oxypent-3-enamide
CID 154088496
5-[1-(4-chloro-3-fluorophenyl)pyrazol-3-yl]oxy-2-methoxyimino-N,3-dimethylpent-3-enamide
CID 154097030
1-(4-chlorophenyl)-3-(2,2-diethoxyethoxy)pyrazole;2-[1-(4-chlorophenyl)pyrazol-3-yl]oxyacetaldehyde
CID 158010775
methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate
CID 6422843
methyl 2-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-3-(fluoromethoxy)prop-2-enoate
CID 72971600
1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-1-methoxy-3-methylurea
CID 142124179
methyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate
CID 2764302
3-[1-(4-chlorophenyl)pyrazol-3-yl]oxy-2-methyl-N-phenylprop-2-enamide
CID 67542505
1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
CID 155217844
1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-ethenylphenyl]-1-methylhydrazine
CID 155217759
3-[(2-bromophenyl)methoxy]-1-(4-chlorophenyl)pyrazole
CID 67042683

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-[1-(4-chlorophenyl)pyrazol-3-yl]oxybut-2-en-2-yl] N-methoxycarbamate?
The IUPAC name of [(Z)-4-[1-(4-chlorophenyl)pyrazol-3-yl]oxybut-2-en-2-yl] N-methoxycarbamate (CID 140658305) is [(Z)-4-[1-(4-chlorophenyl)pyrazol-3-yl]oxybut-2-en-2-yl] N-methoxycarbamate.
What is the SMILES notation for [(Z)-4-[1-(4-chlorophenyl)pyrazol-3-yl]oxybut-2-en-2-yl] N-methoxycarbamate?
The canonical SMILES for [(Z)-4-[1-(4-chlorophenyl)pyrazol-3-yl]oxybut-2-en-2-yl] N-methoxycarbamate is CONC(=O)O/C(C)=C\COc1ccn(-c2ccc(Cl)cc2)n1.
What is the InChIKey of [(Z)-4-[1-(4-chlorophenyl)pyrazol-3-yl]oxybut-2-en-2-yl] N-methoxycarbamate?
The InChIKey is WFIHLDGIZKFKEX-FLIBITNWSA-N. The full InChI is InChI=1S/C15H16ClN3O4/c1-11(23-15(20)18-21-2)8-10-22-14-7-9-19(17-14)13-5-3-12(16)4-6-13/h3-9H,10H2,1-2H3,(H,18,20)/b11-8-.
What are the key properties of [(Z)-4-[1-(4-chlorophenyl)pyrazol-3-yl]oxybut-2-en-2-yl] N-methoxycarbamate?
[(Z)-4-[1-(4-chlorophenyl)pyrazol-3-yl]oxybut-2-en-2-yl] N-methoxycarbamate has a molecular weight of 337.76 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-[1-(4-chlorophenyl)pyrazol-3-yl]oxybut-2-en-2-yl] N-methoxycarbamate is sourced from PubChem (CID 140658305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).