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

C20H30N6O — CID 26405004

IUPACN-[2-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(CCCn2cccn2)CC1)C1CCCC1
InChIInChI=1S/C20H30N6O/c27-20(17-5-1-2-6-17)23-19-7-11-22-26(19)18-8-15-24(16-9-18)12-4-14-25-13-3-10-21-25/h3,7,10-11,13,17-18H,1-2,4-6,8-9,12,14-16H2,(H,23,27)
InChIKeyLCFPWCLHGGOMOV-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.94
Rot. Bonds7

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

N-[2-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 26405004) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[2-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
PubChem CID26405004
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC NameN-[2-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(CCCn2cccn2)CC1)C1CCCC1
InChIInChI=1S/C20H30N6O/c27-20(17-5-1-2-6-17)23-19-7-11-22-26(19)18-8-15-24(16-9-18)12-4-14-25-13-3-10-21-25/h3,7,10-11,13,17-18H,1-2,4-6,8-9,12,14-16H2,(H,23,27)
InChIKeyLCFPWCLHGGOMOV-UHFFFAOYSA-N
XLogP2.94
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (CID 26405004) is N-[2-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is O=C(Nc1ccnn1C1CCN(CCCn2cccn2)CC1)C1CCCC1.
What is the InChIKey of N-[2-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is LCFPWCLHGGOMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c27-20(17-5-1-2-6-17)23-19-7-11-22-26(19)18-8-15-24(16-9-18)12-4-14-25-13-3-10-21-25/h3,7,10-11,13,17-18H,1-2,4-6,8-9,12,14-16H2,(H,23,27).
What are the key properties of N-[2-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
N-[2-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-pyrazol-1-ylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 26405004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).