2-chloro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide

C24H27ClN4O — CID 24819315

IUPAC2-chloro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(CCCc2ccccc2)CC1)c1ccccc1Cl
InChIInChI=1S/C24H27ClN4O/c25-22-11-5-4-10-21(22)24(30)27-23-12-15-26-29(23)20-13-17-28(18-14-20)16-6-9-19-7-2-1-3-8-19/h1-5,7-8,10-12,15,20H,6,9,13-14,16-18H2,(H,27,30)
InChIKeyJTAYMTDXRLYBNG-UHFFFAOYSA-N
MW422.96 g/mol
LogP5.06
Rot. Bonds7

About 2-chloro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide

2-chloro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24819315) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is 2-chloro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24819315
Molecular FormulaC24H27ClN4O
Molecular Weight422.96 g/mol
Exact Mass422.19
IUPAC Name2-chloro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(CCCc2ccccc2)CC1)c1ccccc1Cl
InChIInChI=1S/C24H27ClN4O/c25-22-11-5-4-10-21(22)24(30)27-23-12-15-26-29(23)20-13-17-28(18-14-20)16-6-9-19-7-2-1-3-8-19/h1-5,7-8,10-12,15,20H,6,9,13-14,16-18H2,(H,27,30)
InChIKeyJTAYMTDXRLYBNG-UHFFFAOYSA-N
XLogP5.06
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.96
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24819315) is 2-chloro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide is O=C(Nc1ccnn1C1CCN(CCCc2ccccc2)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is JTAYMTDXRLYBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O/c25-22-11-5-4-10-21(22)24(30)27-23-12-15-26-29(23)20-13-17-28(18-14-20)16-6-9-19-7-2-1-3-8-19/h1-5,7-8,10-12,15,20H,6,9,13-14,16-18H2,(H,27,30).
What are the key properties of 2-chloro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
2-chloro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 422.96 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24819315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).