4-[(2-fluoro-3-methoxybenzoyl)amino]-N-(4-fluorophenyl)pyrazole-1-carboxamide

C18H14F2N4O3 — CID 143263580

IUPAC4-[(2-fluoro-3-methoxybenzoyl)amino]-N-(4-fluorophenyl)pyrazole-1-carboxamide
SMILESCOc1cccc(C(=O)Nc2cnn(C(=O)Nc3ccc(F)cc3)c2)c1F
InChIInChI=1S/C18H14F2N4O3/c1-27-15-4-2-3-14(16(15)20)17(25)22-13-9-21-24(10-13)18(26)23-12-7-5-11(19)6-8-12/h2-10H,1H3,(H,22,25)(H,23,26)
InChIKeyDEOKJRKVTKEAGF-UHFFFAOYSA-N
MW372.33 g/mol
LogP3.50
Rot. Bonds4

About 4-[(2-fluoro-3-methoxybenzoyl)amino]-N-(4-fluorophenyl)pyrazole-1-carboxamide

4-[(2-fluoro-3-methoxybenzoyl)amino]-N-(4-fluorophenyl)pyrazole-1-carboxamide (PubChem CID 143263580) has the molecular formula C18H14F2N4O3 and a molecular weight of 372.33 g/mol. Its IUPAC name is 4-[(2-fluoro-3-methoxybenzoyl)amino]-N-(4-fluorophenyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name4-[(2-fluoro-3-methoxybenzoyl)amino]-N-(4-fluorophenyl)pyrazole-1-carboxamide
PubChem CID143263580
Molecular FormulaC18H14F2N4O3
Molecular Weight372.33 g/mol
Exact Mass372.10
IUPAC Name4-[(2-fluoro-3-methoxybenzoyl)amino]-N-(4-fluorophenyl)pyrazole-1-carboxamide
SMILESCOc1cccc(C(=O)Nc2cnn(C(=O)Nc3ccc(F)cc3)c2)c1F
InChIInChI=1S/C18H14F2N4O3/c1-27-15-4-2-3-14(16(15)20)17(25)22-13-9-21-24(10-13)18(26)23-12-7-5-11(19)6-8-12/h2-10H,1H3,(H,22,25)(H,23,26)
InChIKeyDEOKJRKVTKEAGF-UHFFFAOYSA-N
XLogP3.50
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
CID 75434860
3-fluoro-N-(4-fluorophenyl)-2-methoxybenzamide
CID 175986233
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2,6-dimethoxybenzamide
CID 19336532
1-[4-[(2-fluoro-3-methoxybenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419565
N-(4-fluorophenyl)pyrazole-1-carboxamide
CID 3631055
2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410106
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
N-(4-fluorophenyl)-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 8744666
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
N-(3-bromo-4-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 80712346
(7S)-3-N-(4-fluorophenyl)-7-(2-methoxyphenyl)-5-methyl-6-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 136674528

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-3-methoxybenzoyl)amino]-N-(4-fluorophenyl)pyrazole-1-carboxamide?
The IUPAC name of 4-[(2-fluoro-3-methoxybenzoyl)amino]-N-(4-fluorophenyl)pyrazole-1-carboxamide (CID 143263580) is 4-[(2-fluoro-3-methoxybenzoyl)amino]-N-(4-fluorophenyl)pyrazole-1-carboxamide.
What is the SMILES notation for 4-[(2-fluoro-3-methoxybenzoyl)amino]-N-(4-fluorophenyl)pyrazole-1-carboxamide?
The canonical SMILES for 4-[(2-fluoro-3-methoxybenzoyl)amino]-N-(4-fluorophenyl)pyrazole-1-carboxamide is COc1cccc(C(=O)Nc2cnn(C(=O)Nc3ccc(F)cc3)c2)c1F.
What is the InChIKey of 4-[(2-fluoro-3-methoxybenzoyl)amino]-N-(4-fluorophenyl)pyrazole-1-carboxamide?
The InChIKey is DEOKJRKVTKEAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O3/c1-27-15-4-2-3-14(16(15)20)17(25)22-13-9-21-24(10-13)18(26)23-12-7-5-11(19)6-8-12/h2-10H,1H3,(H,22,25)(H,23,26).
What are the key properties of 4-[(2-fluoro-3-methoxybenzoyl)amino]-N-(4-fluorophenyl)pyrazole-1-carboxamide?
4-[(2-fluoro-3-methoxybenzoyl)amino]-N-(4-fluorophenyl)pyrazole-1-carboxamide has a molecular weight of 372.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-3-methoxybenzoyl)amino]-N-(4-fluorophenyl)pyrazole-1-carboxamide is sourced from PubChem (CID 143263580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).