1,5-bis(4-chlorophenyl)-N-[(4-hydroxy-1-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide

C23H24Cl2N4O2 — CID 164611047

IUPAC1,5-bis(4-chlorophenyl)-N-[(4-hydroxy-1-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide
SMILESCN1CCC(O)CC1CNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H24Cl2N4O2/c1-28-11-10-20(30)12-19(28)14-26-23(31)21-13-22(15-2-4-16(24)5-3-15)29(27-21)18-8-6-17(25)7-9-18/h2-9,13,19-20,30H,10-12,14H2,1H3,(H,26,31)
InChIKeyDJOQNXCXUPKHSP-UHFFFAOYSA-N
MW459.38 g/mol
LogP4.03
Rot. Bonds5

About 1,5-bis(4-chlorophenyl)-N-[(4-hydroxy-1-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide

1,5-bis(4-chlorophenyl)-N-[(4-hydroxy-1-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 164611047) has the molecular formula C23H24Cl2N4O2 and a molecular weight of 459.38 g/mol. Its IUPAC name is 1,5-bis(4-chlorophenyl)-N-[(4-hydroxy-1-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-bis(4-chlorophenyl)-N-[(4-hydroxy-1-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide
PubChem CID164611047
Molecular FormulaC23H24Cl2N4O2
Molecular Weight459.38 g/mol
Exact Mass458.13
IUPAC Name1,5-bis(4-chlorophenyl)-N-[(4-hydroxy-1-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide
SMILESCN1CCC(O)CC1CNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H24Cl2N4O2/c1-28-11-10-20(30)12-19(28)14-26-23(31)21-13-22(15-2-4-16(24)5-3-15)29(27-21)18-8-6-17(25)7-9-18/h2-9,13,19-20,30H,10-12,14H2,1H3,(H,26,31)
InChIKeyDJOQNXCXUPKHSP-UHFFFAOYSA-N
XLogP4.03
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.38
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-chlorophenyl)-N-[(4-hydroxy-1-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-bis(4-chlorophenyl)-N-[(4-hydroxy-1-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide (CID 164611047) is 1,5-bis(4-chlorophenyl)-N-[(4-hydroxy-1-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-bis(4-chlorophenyl)-N-[(4-hydroxy-1-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-bis(4-chlorophenyl)-N-[(4-hydroxy-1-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide is CN1CCC(O)CC1CNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1,5-bis(4-chlorophenyl)-N-[(4-hydroxy-1-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is DJOQNXCXUPKHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O2/c1-28-11-10-20(30)12-19(28)14-26-23(31)21-13-22(15-2-4-16(24)5-3-15)29(27-21)18-8-6-17(25)7-9-18/h2-9,13,19-20,30H,10-12,14H2,1H3,(H,26,31).
What are the key properties of 1,5-bis(4-chlorophenyl)-N-[(4-hydroxy-1-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide?
1,5-bis(4-chlorophenyl)-N-[(4-hydroxy-1-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 459.38 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-chlorophenyl)-N-[(4-hydroxy-1-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 164611047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).