5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-fluoro-N-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

C22H20Cl3FN4O — CID 70255079

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-fluoro-N-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCN(C(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1F)N1CCCCC1
InChIInChI=1S/C22H20Cl3FN4O/c1-28(29-11-3-2-4-12-29)22(31)20-19(26)21(14-5-7-15(23)8-6-14)30(27-20)18-10-9-16(24)13-17(18)25/h5-10,13H,2-4,11-12H2,1H3
InChIKeyJQNZBIIUYQBORF-UHFFFAOYSA-N
MW481.79 g/mol
LogP6.11
Rot. Bonds4

About 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-fluoro-N-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-fluoro-N-methyl-N-piperidin-1-ylpyrazole-3-carboxamide (PubChem CID 70255079) has the molecular formula C22H20Cl3FN4O and a molecular weight of 481.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-fluoro-N-methyl-N-piperidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-fluoro-N-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
PubChem CID70255079
Molecular FormulaC22H20Cl3FN4O
Molecular Weight481.79 g/mol
Exact Mass480.07
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-fluoro-N-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCN(C(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1F)N1CCCCC1
InChIInChI=1S/C22H20Cl3FN4O/c1-28(29-11-3-2-4-12-29)22(31)20-19(26)21(14-5-7-15(23)8-6-14)30(27-20)18-10-9-16(24)13-17(18)25/h5-10,13H,2-4,11-12H2,1H3
InChIKeyJQNZBIIUYQBORF-UHFFFAOYSA-N
XLogP6.11
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.79
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-1-carboxamide
CID 24880776
[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-(piperidin-1-ylcarbamoyl)pyrazol-4-yl]methyl-methylcarbamic acid
CID 89467055
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;sulfuric acid
CID 25026422
1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2,2,2-trifluoroethanone
CID 71654208
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 66844170
1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-3-carboxamide
CID 169175708
1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;hydrochloride
CID 46837031
N-(azepan-1-yl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 10506183
N-(aminomethyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 69235606
methyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(fluoromethyl)pyrazole-3-carboxylate
CID 19356254
tert-butyl-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]carbamic acid
CID 69235906
4-[4-[1-(2,4-dichlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]phenyl]benzoic acid
CID 155542177

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-fluoro-N-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-fluoro-N-methyl-N-piperidin-1-ylpyrazole-3-carboxamide (CID 70255079) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-fluoro-N-methyl-N-piperidin-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-fluoro-N-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-fluoro-N-methyl-N-piperidin-1-ylpyrazole-3-carboxamide is CN(C(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1F)N1CCCCC1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-fluoro-N-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The InChIKey is JQNZBIIUYQBORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl3FN4O/c1-28(29-11-3-2-4-12-29)22(31)20-19(26)21(14-5-7-15(23)8-6-14)30(27-20)18-10-9-16(24)13-17(18)25/h5-10,13H,2-4,11-12H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-fluoro-N-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-fluoro-N-methyl-N-piperidin-1-ylpyrazole-3-carboxamide has a molecular weight of 481.79 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-fluoro-N-methyl-N-piperidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 70255079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).