4-[1-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]piperidin-4-yl]butanoic acid

C26H27Cl3N4O3 — CID 25262270

IUPAC4-[1-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]piperidin-4-yl]butanoic acid
SMILESCc1c(C(=O)NN2CCC(CCCC(=O)O)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C26H27Cl3N4O3/c1-16-24(26(36)31-32-13-11-17(12-14-32)3-2-4-23(34)35)30-33(22-10-9-20(28)15-21(22)29)25(16)18-5-7-19(27)8-6-18/h5-10,15,17H,2-4,11-14H2,1H3,(H,31,36)(H,34,35)
InChIKeyUZAJMNHQSLYLBW-UHFFFAOYSA-N
MW549.89 g/mol
LogP6.42
Rot. Bonds8

About 4-[1-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]piperidin-4-yl]butanoic acid

4-[1-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]piperidin-4-yl]butanoic acid (PubChem CID 25262270) has the molecular formula C26H27Cl3N4O3 and a molecular weight of 549.89 g/mol. Its IUPAC name is 4-[1-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]piperidin-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[1-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]piperidin-4-yl]butanoic acid
PubChem CID25262270
Molecular FormulaC26H27Cl3N4O3
Molecular Weight549.89 g/mol
Exact Mass548.11
IUPAC Name4-[1-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]piperidin-4-yl]butanoic acid
SMILESCc1c(C(=O)NN2CCC(CCCC(=O)O)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C26H27Cl3N4O3/c1-16-24(26(36)31-32-13-11-17(12-14-32)3-2-4-23(34)35)30-33(22-10-9-20(28)15-21(22)29)25(16)18-5-7-19(27)8-6-18/h5-10,15,17H,2-4,11-14H2,1H3,(H,31,36)(H,34,35)
InChIKeyUZAJMNHQSLYLBW-UHFFFAOYSA-N
XLogP6.42
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.89
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[1-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]piperidin-4-yl]butanoic acid with MolForge

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Related Compounds

4-[4-[1-(2,4-dichlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]phenyl]benzoic acid
CID 155542177
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;sulfuric acid
CID 25026422
5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 24991147
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
1-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]pyrrolidine-2-carboxylic acid
CID 24748315
5-(4-chlorophenyl)-N-cyclopentyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 23652123
1-(2,4-dichlorophenyl)-5-[4-(hydroxycarbamoyl)phenyl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 162713195
1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-5-[4-(2-sulfanylethyl)phenyl]pyrazole-3-carboxamide
CID 88873863
1-(2,4-dichlorophenyl)-4-methyl-5-[4-(2-methylcyclopropyl)phenyl]-N-piperidin-1-ylpyrazole-3-carboxamide
CID 71089151
1-(2,4-dichlorophenyl)-5-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 59232565
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide;ethane
CID 143858232

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]piperidin-4-yl]butanoic acid?
The IUPAC name of 4-[1-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]piperidin-4-yl]butanoic acid (CID 25262270) is 4-[1-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]piperidin-4-yl]butanoic acid.
What is the SMILES notation for 4-[1-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]piperidin-4-yl]butanoic acid?
The canonical SMILES for 4-[1-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]piperidin-4-yl]butanoic acid is Cc1c(C(=O)NN2CCC(CCCC(=O)O)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[1-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]piperidin-4-yl]butanoic acid?
The InChIKey is UZAJMNHQSLYLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl3N4O3/c1-16-24(26(36)31-32-13-11-17(12-14-32)3-2-4-23(34)35)30-33(22-10-9-20(28)15-21(22)29)25(16)18-5-7-19(27)8-6-18/h5-10,15,17H,2-4,11-14H2,1H3,(H,31,36)(H,34,35).
What are the key properties of 4-[1-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]piperidin-4-yl]butanoic acid?
4-[1-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]piperidin-4-yl]butanoic acid has a molecular weight of 549.89 g/mol, XLogP of 6.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]piperidin-4-yl]butanoic acid is sourced from PubChem (CID 25262270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).