5-[1-(4-chloro-3-fluorophenyl)pyrazol-3-yl]oxy-2-methoxyimino-N,3-dimethylpent-3-enamide

C17H18ClFN4O3 — CID 154097030

IUPAC5-[1-(4-chloro-3-fluorophenyl)pyrazol-3-yl]oxy-2-methoxyimino-N,3-dimethylpent-3-enamide
SMILESCNC(=O)C(=NOC)C(C)=CCOc1ccn(-c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C17H18ClFN4O3/c1-11(16(22-25-3)17(24)20-2)7-9-26-15-6-8-23(21-15)12-4-5-13(18)14(19)10-12/h4-8,10H,9H2,1-3H3,(H,20,24)
InChIKeyDJDAHNFNSSBEDU-UHFFFAOYSA-N
MW380.81 g/mol
LogP2.74
Rot. Bonds7

About 5-[1-(4-chloro-3-fluorophenyl)pyrazol-3-yl]oxy-2-methoxyimino-N,3-dimethylpent-3-enamide

5-[1-(4-chloro-3-fluorophenyl)pyrazol-3-yl]oxy-2-methoxyimino-N,3-dimethylpent-3-enamide (PubChem CID 154097030) has the molecular formula C17H18ClFN4O3 and a molecular weight of 380.81 g/mol. Its IUPAC name is 5-[1-(4-chloro-3-fluorophenyl)pyrazol-3-yl]oxy-2-methoxyimino-N,3-dimethylpent-3-enamide.

Molecular Properties

Compound Name5-[1-(4-chloro-3-fluorophenyl)pyrazol-3-yl]oxy-2-methoxyimino-N,3-dimethylpent-3-enamide
PubChem CID154097030
Molecular FormulaC17H18ClFN4O3
Molecular Weight380.81 g/mol
Exact Mass380.11
IUPAC Name5-[1-(4-chloro-3-fluorophenyl)pyrazol-3-yl]oxy-2-methoxyimino-N,3-dimethylpent-3-enamide
SMILESCNC(=O)C(=NOC)C(C)=CCOc1ccn(-c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C17H18ClFN4O3/c1-11(16(22-25-3)17(24)20-2)7-9-26-15-6-8-23(21-15)12-4-5-13(18)14(19)10-12/h4-8,10H,9H2,1-3H3,(H,20,24)
InChIKeyDJDAHNFNSSBEDU-UHFFFAOYSA-N
XLogP2.74
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxyimino-N,3-dimethyl-5-[1-(4-methylphenyl)pyrazol-3-yl]oxypent-3-enamide
CID 154088496
[(Z)-4-[1-(4-chlorophenyl)pyrazol-3-yl]oxybut-2-en-2-yl] N-methoxycarbamate
CID 140658305
2-[1-(4-chlorophenyl)pyrazol-3-yl]oxyacetaldehyde
CID 121269425
[1-(2,4-dichlorophenyl)pyrazol-3-yl] (Z,1Z)-N-methoxy-3-methyl-5-(methylamino)-5-oxopent-2-enimidate
CID 170154654
methyl 1-(4-chloro-3-fluorophenyl)-5-methylpyrazole-3-carboxylate
CID 79150154
3-[1-(4-chlorophenyl)pyrazol-3-yl]oxy-2-methyl-N-phenylprop-2-enamide
CID 67542505
methyl 5-amino-1-(4-chloro-3-fluorophenyl)-3-(methylamino)pyrazole-4-carboxylate
CID 102809174
1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-1-ylbutoxy)pyrazole
CID 11674772
1-(4-chloro-3-fluorophenyl)-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 146201949
methyl 1-(3-chloro-4-fluorophenyl)-4-hydroxypyrazole-3-carboxylate
CID 705932
1-[1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidin-4-yl]ethanone;oxalic acid
CID 24743740
1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-1-methoxy-3-methylurea
CID 142124179

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chloro-3-fluorophenyl)pyrazol-3-yl]oxy-2-methoxyimino-N,3-dimethylpent-3-enamide?
The IUPAC name of 5-[1-(4-chloro-3-fluorophenyl)pyrazol-3-yl]oxy-2-methoxyimino-N,3-dimethylpent-3-enamide (CID 154097030) is 5-[1-(4-chloro-3-fluorophenyl)pyrazol-3-yl]oxy-2-methoxyimino-N,3-dimethylpent-3-enamide.
What is the SMILES notation for 5-[1-(4-chloro-3-fluorophenyl)pyrazol-3-yl]oxy-2-methoxyimino-N,3-dimethylpent-3-enamide?
The canonical SMILES for 5-[1-(4-chloro-3-fluorophenyl)pyrazol-3-yl]oxy-2-methoxyimino-N,3-dimethylpent-3-enamide is CNC(=O)C(=NOC)C(C)=CCOc1ccn(-c2ccc(Cl)c(F)c2)n1.
What is the InChIKey of 5-[1-(4-chloro-3-fluorophenyl)pyrazol-3-yl]oxy-2-methoxyimino-N,3-dimethylpent-3-enamide?
The InChIKey is DJDAHNFNSSBEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O3/c1-11(16(22-25-3)17(24)20-2)7-9-26-15-6-8-23(21-15)12-4-5-13(18)14(19)10-12/h4-8,10H,9H2,1-3H3,(H,20,24).
What are the key properties of 5-[1-(4-chloro-3-fluorophenyl)pyrazol-3-yl]oxy-2-methoxyimino-N,3-dimethylpent-3-enamide?
5-[1-(4-chloro-3-fluorophenyl)pyrazol-3-yl]oxy-2-methoxyimino-N,3-dimethylpent-3-enamide has a molecular weight of 380.81 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chloro-3-fluorophenyl)pyrazol-3-yl]oxy-2-methoxyimino-N,3-dimethylpent-3-enamide is sourced from PubChem (CID 154097030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).