5-fluoro-N-[4-fluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide

C20H18F2N4O2 — CID 23593946

IUPAC5-fluoro-N-[4-fluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCO/N=C/c1ccc(-c2cc(F)ccc2NC(=O)c2c(C)nn(C)c2F)cc1
InChIInChI=1S/C20H18F2N4O2/c1-12-18(19(22)26(2)25-12)20(27)24-17-9-8-15(21)10-16(17)14-6-4-13(5-7-14)11-23-28-3/h4-11H,1-3H3,(H,24,27)/b23-11+
InChIKeyVOOGXBYNOXKSIQ-FOKLQQMPSA-N
MW384.39 g/mol
LogP3.91
Rot. Bonds5

About 5-fluoro-N-[4-fluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide

5-fluoro-N-[4-fluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 23593946) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 5-fluoro-N-[4-fluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[4-fluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID23593946
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name5-fluoro-N-[4-fluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCO/N=C/c1ccc(-c2cc(F)ccc2NC(=O)c2c(C)nn(C)c2F)cc1
InChIInChI=1S/C20H18F2N4O2/c1-12-18(19(22)26(2)25-12)20(27)24-17-9-8-15(21)10-16(17)14-6-4-13(5-7-14)11-23-28-3/h4-11H,1-3H3,(H,24,27)/b23-11+
InChIKeyVOOGXBYNOXKSIQ-FOKLQQMPSA-N
XLogP3.91
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

5-fluoro-N-[2-[3-methoxy-4-(methoxyiminomethyl)phenyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 74067708
5-fluoro-1,3-dimethyl-N-[2-[4-(phenylmethoxyiminomethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 74067736
5-fluoro-1,3-dimethyl-N-[2-[4-[(E)-pyridin-2-ylmethoxyiminomethyl]phenyl]phenyl]pyrazole-4-carboxamide
CID 23593921
N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742326
N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685919
ethane;N-[2-[4-[(E)-methoxyiminomethyl]phenyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 142109319
N-[2-(2-ethynylphenyl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 174989669
5-fluoro-1,3-dimethyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrazole-4-carboxamide
CID 87475107
N-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 103753650
N-[2-(4-chlorophenyl)-3-methylphenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 18718226
N-[2-(2,4-dichlorophenoxy)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 163527402
N-[4-fluoro-2-(4-fluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 66917224

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-fluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-fluoro-N-[4-fluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide (CID 23593946) is 5-fluoro-N-[4-fluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-fluoro-N-[4-fluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-fluoro-N-[4-fluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide is CO/N=C/c1ccc(-c2cc(F)ccc2NC(=O)c2c(C)nn(C)c2F)cc1.
What is the InChIKey of 5-fluoro-N-[4-fluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is VOOGXBYNOXKSIQ-FOKLQQMPSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-12-18(19(22)26(2)25-12)20(27)24-17-9-8-15(21)10-16(17)14-6-4-13(5-7-14)11-23-28-3/h4-11H,1-3H3,(H,24,27)/b23-11+.
What are the key properties of 5-fluoro-N-[4-fluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide?
5-fluoro-N-[4-fluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-fluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 23593946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).