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

C21H28N4O — CID 24819224

IUPACN-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]cyclopentanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2ccccc2)CC1)C1CCCC1
InChIInChI=1S/C21H28N4O/c26-21(18-8-4-5-9-18)23-20-10-13-22-25(20)19-11-14-24(15-12-19)16-17-6-2-1-3-7-17/h1-3,6-7,10,13,18-19H,4-5,8-9,11-12,14-16H2,(H,23,26)
InChIKeySJQLXBGPLXVYRW-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.85
Rot. Bonds5

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

N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 24819224) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]cyclopentanecarboxamide
PubChem CID24819224
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]cyclopentanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2ccccc2)CC1)C1CCCC1
InChIInChI=1S/C21H28N4O/c26-21(18-8-4-5-9-18)23-20-10-13-22-25(20)19-11-14-24(15-12-19)16-17-6-2-1-3-7-17/h1-3,6-7,10,13,18-19H,4-5,8-9,11-12,14-16H2,(H,23,26)
InChIKeySJQLXBGPLXVYRW-UHFFFAOYSA-N
XLogP3.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.85
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]cyclopentanecarboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]cyclopentanecarboxamide (CID 24819224) is N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]cyclopentanecarboxamide is O=C(Nc1ccnn1C1CCN(Cc2ccccc2)CC1)C1CCCC1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is SJQLXBGPLXVYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c26-21(18-8-4-5-9-18)23-20-10-13-22-25(20)19-11-14-24(15-12-19)16-17-6-2-1-3-7-17/h1-3,6-7,10,13,18-19H,4-5,8-9,11-12,14-16H2,(H,23,26).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]cyclopentanecarboxamide?
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.85, 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]cyclopentanecarboxamide is sourced from PubChem (CID 24819224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).