1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(3-fluorophenyl)pyrazole-3-carboxamide

C18H14F2N4O2 — CID 29098002

IUPAC1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(3-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Cn1ccc(C(=O)Nc2cccc(F)c2)n1)Nc1cccc(F)c1
InChIInChI=1S/C18H14F2N4O2/c19-12-3-1-5-14(9-12)21-17(25)11-24-8-7-16(23-24)18(26)22-15-6-2-4-13(20)10-15/h1-10H,11H2,(H,21,25)(H,22,26)
InChIKeyVKBXVGAINVWMGZ-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.05
Rot. Bonds5

About 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(3-fluorophenyl)pyrazole-3-carboxamide

1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(3-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 29098002) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(3-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(3-fluorophenyl)pyrazole-3-carboxamide
PubChem CID29098002
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC Name1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(3-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Cn1ccc(C(=O)Nc2cccc(F)c2)n1)Nc1cccc(F)c1
InChIInChI=1S/C18H14F2N4O2/c19-12-3-1-5-14(9-12)21-17(25)11-24-8-7-16(23-24)18(26)22-15-6-2-4-13(20)10-15/h1-10H,11H2,(H,21,25)(H,22,26)
InChIKeyVKBXVGAINVWMGZ-UHFFFAOYSA-N
XLogP3.05
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(3,4-difluorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500090
N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide
CID 6470772
1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502590
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 27443516
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097363
N-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679426
2-(3-aminopyrazol-1-yl)-N-(3-chlorophenyl)acetamide
CID 60783120
N-(3-bromophenyl)-1-ethylpyrazole-3-carboxamide
CID 6466747
N-[3-fluoro-5-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]phenyl]-1-(2-methoxyethyl)pyrazole-3-carboxamide
CID 166224452
1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide
CID 44823997
2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 115616714

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(3-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(3-fluorophenyl)pyrazole-3-carboxamide (CID 29098002) is 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(3-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(3-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(3-fluorophenyl)pyrazole-3-carboxamide is O=C(Cn1ccc(C(=O)Nc2cccc(F)c2)n1)Nc1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(3-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is VKBXVGAINVWMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c19-12-3-1-5-14(9-12)21-17(25)11-24-8-7-16(23-24)18(26)22-15-6-2-4-13(20)10-15/h1-10H,11H2,(H,21,25)(H,22,26).
What are the key properties of 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(3-fluorophenyl)pyrazole-3-carboxamide?
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(3-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 356.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(3-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 29098002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).