5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)-4-methylpyrazole-3-carboxamide

C24H25Cl3N4O3S — CID 127027671

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)-4-methylpyrazole-3-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1
InChIInChI=1S/C24H25Cl3N4O3S/c1-3-35(33,34)30-12-10-19(11-13-30)28-24(32)22-15(2)23(16-4-6-17(25)7-5-16)31(29-22)21-9-8-18(26)14-20(21)27/h4-9,14,19H,3,10-13H2,1-2H3,(H,28,32)
InChIKeyODDARODPWQQOLN-UHFFFAOYSA-N
MW555.92 g/mol
LogP5.35
Rot. Bonds6

About 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)-4-methylpyrazole-3-carboxamide

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)-4-methylpyrazole-3-carboxamide (PubChem CID 127027671) has the molecular formula C24H25Cl3N4O3S and a molecular weight of 555.92 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)-4-methylpyrazole-3-carboxamide
PubChem CID127027671
Molecular FormulaC24H25Cl3N4O3S
Molecular Weight555.92 g/mol
Exact Mass554.07
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)-4-methylpyrazole-3-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1
InChIInChI=1S/C24H25Cl3N4O3S/c1-3-35(33,34)30-12-10-19(11-13-30)28-24(32)22-15(2)23(16-4-6-17(25)7-5-16)31(29-22)21-9-8-18(26)14-20(21)27/h4-9,14,19H,3,10-13H2,1-2H3,(H,28,32)
InChIKeyODDARODPWQQOLN-UHFFFAOYSA-N
XLogP5.35
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.92
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Rimonabant
CID 104850
N-(piperidin-1-yl)-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-1H-pyrazole-3-carboxamide
CID 2125
AM6545
CID 46912919
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylsulfanyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
CID 23624319
5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-Pyrazole-3-carboxamide
CID 66844170
5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-n-pentyl-1H-pyrazole-3-carboxamide
CID 9868408
5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylsulfinyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
CID 24863732
Rimonabant Hydrochloride
CID 104849
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-propan-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 21868807
1-(2,4-Dichloro-phenyl)-4-methyl-5-(4-pentyl-phenyl)-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide
CID 10141695
1-{[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl]carbonyl}-4-phenylpiperidine-4-carboxamide
CID 57342713
1-[1-[5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidin-4-yl]-3-hexylurea
CID 57343221

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)-4-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)-4-methylpyrazole-3-carboxamide (CID 127027671) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)-4-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)-4-methylpyrazole-3-carboxamide is CCS(=O)(=O)N1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)-4-methylpyrazole-3-carboxamide?
The InChIKey is ODDARODPWQQOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl3N4O3S/c1-3-35(33,34)30-12-10-19(11-13-30)28-24(32)22-15(2)23(16-4-6-17(25)7-5-16)31(29-22)21-9-8-18(26)14-20(21)27/h4-9,14,19H,3,10-13H2,1-2H3,(H,28,32).
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)-4-methylpyrazole-3-carboxamide?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)-4-methylpyrazole-3-carboxamide has a molecular weight of 555.92 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 127027671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).