1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2-oxopiperidin-1-yl)pyrazole-3-carboxamide

C22H20Cl2N4O3 — CID 131863756

IUPAC1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2-oxopiperidin-1-yl)pyrazole-3-carboxamide
SMILESCOc1c(C(=O)NN2CCCCC2=O)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H20Cl2N4O3/c1-31-21-19(22(30)26-27-13-5-4-8-18(27)29)25-28(17-7-3-2-6-16(17)24)20(21)14-9-11-15(23)12-10-14/h2-3,6-7,9-12H,4-5,8,13H2,1H3,(H,26,30)
InChIKeyVEZRIPDRAKHJGJ-UHFFFAOYSA-N
MW459.33 g/mol
LogP4.51
Rot. Bonds5

About 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2-oxopiperidin-1-yl)pyrazole-3-carboxamide

1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2-oxopiperidin-1-yl)pyrazole-3-carboxamide (PubChem CID 131863756) has the molecular formula C22H20Cl2N4O3 and a molecular weight of 459.33 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2-oxopiperidin-1-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2-oxopiperidin-1-yl)pyrazole-3-carboxamide
PubChem CID131863756
Molecular FormulaC22H20Cl2N4O3
Molecular Weight459.33 g/mol
Exact Mass458.09
IUPAC Name1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2-oxopiperidin-1-yl)pyrazole-3-carboxamide
SMILESCOc1c(C(=O)NN2CCCCC2=O)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H20Cl2N4O3/c1-31-21-19(22(30)26-27-13-5-4-8-18(27)29)25-28(17-7-3-2-6-16(17)24)20(21)14-9-11-15(23)12-10-14/h2-3,6-7,9-12H,4-5,8,13H2,1H3,(H,26,30)
InChIKeyVEZRIPDRAKHJGJ-UHFFFAOYSA-N
XLogP4.51
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.33
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazole-3-carboxamide
CID 16717851
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(thian-4-yl)pyrazole-3-carboxamide
CID 66862919
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2-methylsulfinylethyl)pyrazole-3-carboxamide
CID 66863225
N-(1-acetylpyrrolidin-3-yl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxypyrazole-3-carboxamide
CID 66862608
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-[2-(ethylcarbamoylamino)ethoxy]-N-pyrrolidin-1-ylpyrazole-3-carboxamide
CID 66863165
1-(2-chlorophenyl)-4-(18F)fluoro-5-(4-methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
CID 10928082
1-(2-chlorophenyl)-4-methoxy-N-(1-sulfinyl-1,4-thiazinan-4-yl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 66863480
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-piperidin-1-ylpyrazole-3-carboxamide
CID 46225009
5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-(2-oxopiperidin-1-yl)pyrazole-3-carboxamide
CID 58880336
4-[(2Z)-2-amino-2-hydroxyiminoethyl]-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
CID 25024108
1,5-bis(4-chlorophenyl)-4-methoxypyrazole-3-carboxylic acid
CID 66862655
ethyl 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazole-3-carboxylate
CID 58760952

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2-oxopiperidin-1-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2-oxopiperidin-1-yl)pyrazole-3-carboxamide (CID 131863756) is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2-oxopiperidin-1-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2-oxopiperidin-1-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2-oxopiperidin-1-yl)pyrazole-3-carboxamide is COc1c(C(=O)NN2CCCCC2=O)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2-oxopiperidin-1-yl)pyrazole-3-carboxamide?
The InChIKey is VEZRIPDRAKHJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O3/c1-31-21-19(22(30)26-27-13-5-4-8-18(27)29)25-28(17-7-3-2-6-16(17)24)20(21)14-9-11-15(23)12-10-14/h2-3,6-7,9-12H,4-5,8,13H2,1H3,(H,26,30).
What are the key properties of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2-oxopiperidin-1-yl)pyrazole-3-carboxamide?
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2-oxopiperidin-1-yl)pyrazole-3-carboxamide has a molecular weight of 459.33 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2-oxopiperidin-1-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 131863756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).