N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide

C23H25ClN4O — CID 2810623

IUPACN-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C23H25ClN4O/c1-17-22(15-25-28(17)21-9-7-19(24)8-10-21)23(29)26-20-11-13-27(14-12-20)16-18-5-3-2-4-6-18/h2-10,15,20H,11-14,16H2,1H3,(H,26,29)
InChIKeyFNWBWRHVMKSYAK-UHFFFAOYSA-N
MW408.93 g/mol
LogP4.23
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide

N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 2810623) has the molecular formula C23H25ClN4O and a molecular weight of 408.93 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID2810623
Molecular FormulaC23H25ClN4O
Molecular Weight408.93 g/mol
Exact Mass408.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C23H25ClN4O/c1-17-22(15-25-28(17)21-9-7-19(24)8-10-21)23(29)26-20-11-13-27(14-12-20)16-18-5-3-2-4-6-18/h2-10,15,20H,11-14,16H2,1H3,(H,26,29)
InChIKeyFNWBWRHVMKSYAK-UHFFFAOYSA-N
XLogP4.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide (CID 2810623) is N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is FNWBWRHVMKSYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O/c1-17-22(15-25-28(17)21-9-7-19(24)8-10-21)23(29)26-20-11-13-27(14-12-20)16-18-5-3-2-4-6-18/h2-10,15,20H,11-14,16H2,1H3,(H,26,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 408.93 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 2810623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).