5-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)-3,4-dihydropyrazole-2-carboxamide

C23H24Cl2N4O2 — CID 142988270

IUPAC5-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)N1CC(N2CCCCC2=O)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C23H24Cl2N4O2/c24-18-8-4-16(5-9-18)12-13-26-23(31)29-15-20(28-14-2-1-3-21(28)30)22(27-29)17-6-10-19(25)11-7-17/h4-11,20H,1-3,12-15H2,(H,26,31)
InChIKeyJVAXMFHEMUHFON-UHFFFAOYSA-N
MW459.38 g/mol
LogP4.35
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)-3,4-dihydropyrazole-2-carboxamide

5-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 142988270) has the molecular formula C23H24Cl2N4O2 and a molecular weight of 459.38 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID142988270
Molecular FormulaC23H24Cl2N4O2
Molecular Weight459.38 g/mol
Exact Mass458.13
IUPAC Name5-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)N1CC(N2CCCCC2=O)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C23H24Cl2N4O2/c24-18-8-4-16(5-9-18)12-13-26-23(31)29-15-20(28-14-2-1-3-21(28)30)22(27-29)17-6-10-19(25)11-7-17/h4-11,20H,1-3,12-15H2,(H,26,31)
InChIKeyJVAXMFHEMUHFON-UHFFFAOYSA-N
XLogP4.35
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)-3,4-dihydropyrazole-2-carboxamide (CID 142988270) is 5-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)-3,4-dihydropyrazole-2-carboxamide is O=C(NCCc1ccc(Cl)cc1)N1CC(N2CCCCC2=O)C(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is JVAXMFHEMUHFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O2/c24-18-8-4-16(5-9-18)12-13-26-23(31)29-15-20(28-14-2-1-3-21(28)30)22(27-29)17-6-10-19(25)11-7-17/h4-11,20H,1-3,12-15H2,(H,26,31).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)-3,4-dihydropyrazole-2-carboxamide?
5-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 459.38 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 142988270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).