N-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]cyclohexanecarboxamide

C15H24N4O2 — CID 37393188

IUPACN-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NCCCn1cccn1
InChIInChI=1S/C15H24N4O2/c20-14(16-8-4-10-19-11-5-9-18-19)12-17-15(21)13-6-2-1-3-7-13/h5,9,11,13H,1-4,6-8,10,12H2,(H,16,20)(H,17,21)
InChIKeyPIIRXXMIQVRMDO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.09
Rot. Bonds7

About N-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]cyclohexanecarboxamide

N-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]cyclohexanecarboxamide (PubChem CID 37393188) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]cyclohexanecarboxamide
PubChem CID37393188
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NCCCn1cccn1
InChIInChI=1S/C15H24N4O2/c20-14(16-8-4-10-19-11-5-9-18-19)12-17-15(21)13-6-2-1-3-7-13/h5,9,11,13H,1-4,6-8,10,12H2,(H,16,20)(H,17,21)
InChIKeyPIIRXXMIQVRMDO-UHFFFAOYSA-N
XLogP1.09
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]cyclohexanecarboxamide (CID 37393188) is N-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]cyclohexanecarboxamide is O=C(CNC(=O)C1CCCCC1)NCCCn1cccn1.
What is the InChIKey of N-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]cyclohexanecarboxamide?
The InChIKey is PIIRXXMIQVRMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c20-14(16-8-4-10-19-11-5-9-18-19)12-17-15(21)13-6-2-1-3-7-13/h5,9,11,13H,1-4,6-8,10,12H2,(H,16,20)(H,17,21).
What are the key properties of N-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]cyclohexanecarboxamide?
N-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]cyclohexanecarboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 37393188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).