N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-chlorobenzamide

C22H23ClN4O — CID 24817375

IUPACN-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-chlorobenzamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2ccccc2)CC1)c1ccccc1Cl
InChIInChI=1S/C22H23ClN4O/c23-20-9-5-4-8-19(20)22(28)25-21-10-13-24-27(21)18-11-14-26(15-12-18)16-17-6-2-1-3-7-17/h1-10,13,18H,11-12,14-16H2,(H,25,28)
InChIKeyXABJZJZGVYYBCU-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.63
Rot. Bonds5

About N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-chlorobenzamide

N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-chlorobenzamide (PubChem CID 24817375) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-chlorobenzamide
PubChem CID24817375
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-chlorobenzamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2ccccc2)CC1)c1ccccc1Cl
InChIInChI=1S/C22H23ClN4O/c23-20-9-5-4-8-19(20)22(28)25-21-10-13-24-27(21)18-11-14-26(15-12-18)16-17-6-2-1-3-7-17/h1-10,13,18H,11-12,14-16H2,(H,25,28)
InChIKeyXABJZJZGVYYBCU-UHFFFAOYSA-N
XLogP4.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-chlorobenzamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-chlorobenzamide (CID 24817375) is N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-chlorobenzamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-chlorobenzamide is O=C(Nc1ccnn1C1CCN(Cc2ccccc2)CC1)c1ccccc1Cl.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-chlorobenzamide?
The InChIKey is XABJZJZGVYYBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c23-20-9-5-4-8-19(20)22(28)25-21-10-13-24-27(21)18-11-14-26(15-12-18)16-17-6-2-1-3-7-17/h1-10,13,18H,11-12,14-16H2,(H,25,28).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-chlorobenzamide?
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-chlorobenzamide has a molecular weight of 394.91 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-chlorobenzamide is sourced from PubChem (CID 24817375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).