1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidine-4-carboxamide

C29H25Cl3N4O2 — CID 57342713

IUPAC1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidine-4-carboxamide
SMILESCc1c(C(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C29H25Cl3N4O2/c1-18-25(27(37)35-15-13-29(14-16-35,28(33)38)20-5-3-2-4-6-20)34-36(24-12-11-22(31)17-23(24)32)26(18)19-7-9-21(30)10-8-19/h2-12,17H,13-16H2,1H3,(H2,33,38)
InChIKeyHCRHKHNIDPJLBQ-UHFFFAOYSA-N
MW567.90 g/mol
LogP6.47
Rot. Bonds5

About 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidine-4-carboxamide

1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidine-4-carboxamide (PubChem CID 57342713) has the molecular formula C29H25Cl3N4O2 and a molecular weight of 567.90 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidine-4-carboxamide
PubChem CID57342713
Molecular FormulaC29H25Cl3N4O2
Molecular Weight567.90 g/mol
Exact Mass566.10
IUPAC Name1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidine-4-carboxamide
SMILESCc1c(C(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C29H25Cl3N4O2/c1-18-25(27(37)35-15-13-29(14-16-35,28(33)38)20-5-3-2-4-6-20)34-36(24-12-11-22(31)17-23(24)32)26(18)19-7-9-21(30)10-8-19/h2-12,17H,13-16H2,1H3,(H2,33,38)
InChIKeyHCRHKHNIDPJLBQ-UHFFFAOYSA-N
XLogP6.47
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.90
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Rimonabant
CID 104850
Surinabant
CID 9849616
N-(piperidin-1-yl)-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-1H-pyrazole-3-carboxamide
CID 2125
AM 281
CID 4302962
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylsulfanyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
CID 23624319
Benzo(6,7)cyclohepta(1,2-C)pyrazole-3-carboxamide, 8-chloro-1-(2,4-dichlorophenyl)-1,4,5,6-tetrahydro-N-1-piperidinyl-
CID 10435654
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
1-[5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2-cyclohexylethanone
CID 24881103
4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 25027058
Rimonabant Hydrochloride
CID 104849

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidine-4-carboxamide (CID 57342713) is 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidine-4-carboxamide is Cc1c(C(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is HCRHKHNIDPJLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25Cl3N4O2/c1-18-25(27(37)35-15-13-29(14-16-35,28(33)38)20-5-3-2-4-6-20)34-36(24-12-11-22(31)17-23(24)32)26(18)19-7-9-21(30)10-8-19/h2-12,17H,13-16H2,1H3,(H2,33,38).
What are the key properties of 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidine-4-carboxamide?
1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 567.90 g/mol, XLogP of 6.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 57342713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).