4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide

C23H23Cl2N5O2 — CID 46226081

IUPAC4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESNC(=O)Cc1c(C(=O)NN2CCCCC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H23Cl2N5O2/c24-16-10-8-15(9-11-16)22-17(14-20(26)31)21(23(32)28-29-12-4-1-5-13-29)27-30(22)19-7-3-2-6-18(19)25/h2-3,6-11H,1,4-5,12-14H2,(H2,26,31)(H,28,32)
InChIKeyIKXZRKVEHRWQFM-UHFFFAOYSA-N
MW472.38 g/mol
LogP4.00
Rot. Bonds6

About 4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide

4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide (PubChem CID 46226081) has the molecular formula C23H23Cl2N5O2 and a molecular weight of 472.38 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
PubChem CID46226081
Molecular FormulaC23H23Cl2N5O2
Molecular Weight472.38 g/mol
Exact Mass471.12
IUPAC Name4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESNC(=O)Cc1c(C(=O)NN2CCCCC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H23Cl2N5O2/c24-16-10-8-15(9-11-16)22-17(14-20(26)31)21(23(32)28-29-12-4-1-5-13-29)27-30(22)19-7-3-2-6-18(19)25/h2-3,6-11H,1,4-5,12-14H2,(H2,26,31)(H,28,32)
InChIKeyIKXZRKVEHRWQFM-UHFFFAOYSA-N
XLogP4.00
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.38
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide?
The IUPAC name of 4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide (CID 46226081) is 4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide is NC(=O)Cc1c(C(=O)NN2CCCCC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide?
The InChIKey is IKXZRKVEHRWQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N5O2/c24-16-10-8-15(9-11-16)22-17(14-20(26)31)21(23(32)28-29-12-4-1-5-13-29)27-30(22)19-7-3-2-6-18(19)25/h2-3,6-11H,1,4-5,12-14H2,(H2,26,31)(H,28,32).
What are the key properties of 4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide?
4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide has a molecular weight of 472.38 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 46226081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).