1-(2,6-dichlorophenyl)-4-[4-(3-fluorophenyl)anilino]pyrazole-3-carboxamide

C22H15Cl2FN4O — CID 162440132

IUPAC1-(2,6-dichlorophenyl)-4-[4-(3-fluorophenyl)anilino]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2c(Cl)cccc2Cl)cc1Nc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C22H15Cl2FN4O/c23-17-5-2-6-18(24)21(17)29-12-19(20(28-29)22(26)30)27-16-9-7-13(8-10-16)14-3-1-4-15(25)11-14/h1-12,27H,(H2,26,30)
InChIKeyAIAAVCDQAGIVKX-UHFFFAOYSA-N
MW441.29 g/mol
LogP5.83
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-4-[4-(3-fluorophenyl)anilino]pyrazole-3-carboxamide

1-(2,6-dichlorophenyl)-4-[4-(3-fluorophenyl)anilino]pyrazole-3-carboxamide (PubChem CID 162440132) has the molecular formula C22H15Cl2FN4O and a molecular weight of 441.29 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-4-[4-(3-fluorophenyl)anilino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-4-[4-(3-fluorophenyl)anilino]pyrazole-3-carboxamide
PubChem CID162440132
Molecular FormulaC22H15Cl2FN4O
Molecular Weight441.29 g/mol
Exact Mass440.06
IUPAC Name1-(2,6-dichlorophenyl)-4-[4-(3-fluorophenyl)anilino]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2c(Cl)cccc2Cl)cc1Nc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C22H15Cl2FN4O/c23-17-5-2-6-18(24)21(17)29-12-19(20(28-29)22(26)30)27-16-9-7-13(8-10-16)14-3-1-4-15(25)11-14/h1-12,27H,(H2,26,30)
InChIKeyAIAAVCDQAGIVKX-UHFFFAOYSA-N
XLogP5.83
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.29
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dichlorophenyl)-4-[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide
CID 162440287
1-(2,6-dichlorophenyl)-4-[4-(3,4-dimethylpyrazol-1-yl)anilino]pyrazole-3-carboxamide
CID 162440267
1-(2,6-dichlorophenyl)-4-[4-[1-propyl-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide
CID 162440488
1-(2,6-dichlorophenyl)-4-(1H-pyrazol-4-ylamino)pyrazole-3-carboxamide
CID 162440340
1-(2,6-dichlorophenyl)-4-[4-[2-propyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]anilino]pyrazole-3-carboxamide
CID 162439995
1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]anilino]pyrazole-3-carboxamide
CID 162440046
4-[4-(benzotriazol-1-yl)anilino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide
CID 162439993
1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide
CID 162440450
1-(2,6-dichlorophenyl)-4-[4-(2-methoxyethylcarbamoyl)anilino]pyrazole-3-carboxamide
CID 162440284
1-(2,6-dichlorophenyl)-4-[4-[5-(hydroxymethyl)-1,2,4-triazol-1-yl]anilino]pyrazole-3-carboxamide
CID 162440198
1-(2,6-dichlorophenyl)-4-[4-(5-ethyl-4-methylpyrazol-1-yl)anilino]pyrazole-3-carboxamide
CID 162440475
1-(2,6-dichloro-4-fluorophenyl)-4-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]pyrazole-3-carboxamide
CID 162440467

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-4-[4-(3-fluorophenyl)anilino]pyrazole-3-carboxamide?
The IUPAC name of 1-(2,6-dichlorophenyl)-4-[4-(3-fluorophenyl)anilino]pyrazole-3-carboxamide (CID 162440132) is 1-(2,6-dichlorophenyl)-4-[4-(3-fluorophenyl)anilino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-4-[4-(3-fluorophenyl)anilino]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)-4-[4-(3-fluorophenyl)anilino]pyrazole-3-carboxamide is NC(=O)c1nn(-c2c(Cl)cccc2Cl)cc1Nc1ccc(-c2cccc(F)c2)cc1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-4-[4-(3-fluorophenyl)anilino]pyrazole-3-carboxamide?
The InChIKey is AIAAVCDQAGIVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2FN4O/c23-17-5-2-6-18(24)21(17)29-12-19(20(28-29)22(26)30)27-16-9-7-13(8-10-16)14-3-1-4-15(25)11-14/h1-12,27H,(H2,26,30).
What are the key properties of 1-(2,6-dichlorophenyl)-4-[4-(3-fluorophenyl)anilino]pyrazole-3-carboxamide?
1-(2,6-dichlorophenyl)-4-[4-(3-fluorophenyl)anilino]pyrazole-3-carboxamide has a molecular weight of 441.29 g/mol, XLogP of 5.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-4-[4-(3-fluorophenyl)anilino]pyrazole-3-carboxamide is sourced from PubChem (CID 162440132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).