1,5-bis(4-chlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

C22H22Cl2N4O — CID 10788693

IUPAC1,5-bis(4-chlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H22Cl2N4O/c1-15-20(22(29)26-27-13-3-2-4-14-27)25-28(19-11-9-18(24)10-12-19)21(15)16-5-7-17(23)8-6-16/h5-12H,2-4,13-14H2,1H3,(H,26,29)
InChIKeyJDFAIQMMRYUITC-UHFFFAOYSA-N
MW429.35 g/mol
LogP5.29
Rot. Bonds4

About 1,5-bis(4-chlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

1,5-bis(4-chlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide (PubChem CID 10788693) has the molecular formula C22H22Cl2N4O and a molecular weight of 429.35 g/mol. Its IUPAC name is 1,5-bis(4-chlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-bis(4-chlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
PubChem CID10788693
Molecular FormulaC22H22Cl2N4O
Molecular Weight429.35 g/mol
Exact Mass428.12
IUPAC Name1,5-bis(4-chlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H22Cl2N4O/c1-15-20(22(29)26-27-13-3-2-4-14-27)25-28(19-11-9-18(24)10-12-19)21(15)16-5-7-17(23)8-6-16/h5-12H,2-4,13-14H2,1H3,(H,26,29)
InChIKeyJDFAIQMMRYUITC-UHFFFAOYSA-N
XLogP5.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.35
LogP ≤ 55.29
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
N-(Piperidin-1-yl)-1-(2,4-dichlorophenyl)-1,4-dihydro-6-methylindeno[1,2-c]pyrazole-3-carboxamide
CID 10252734
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
Pyrazole derivative 20
CID 24857045
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

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-chlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The IUPAC name of 1,5-bis(4-chlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide (CID 10788693) is 1,5-bis(4-chlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1,5-bis(4-chlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 1,5-bis(4-chlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide is Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 1,5-bis(4-chlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The InChIKey is JDFAIQMMRYUITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O/c1-15-20(22(29)26-27-13-3-2-4-14-27)25-28(19-11-9-18(24)10-12-19)21(15)16-5-7-17(23)8-6-16/h5-12H,2-4,13-14H2,1H3,(H,26,29).
What are the key properties of 1,5-bis(4-chlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
1,5-bis(4-chlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide has a molecular weight of 429.35 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-chlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 10788693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).