N'-(2-cyclohexylpyrazol-3-yl)-N-(3-methoxypropyl)oxamide

C15H24N4O3 — CID 56806727

IUPACN'-(2-cyclohexylpyrazol-3-yl)-N-(3-methoxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C15H24N4O3/c1-22-11-5-9-16-14(20)15(21)18-13-8-10-17-19(13)12-6-3-2-4-7-12/h8,10,12H,2-7,9,11H2,1H3,(H,16,20)(H,18,21)
InChIKeyCQVUGJIIKITGSP-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.48
Rot. Bonds6

About N'-(2-cyclohexylpyrazol-3-yl)-N-(3-methoxypropyl)oxamide

N'-(2-cyclohexylpyrazol-3-yl)-N-(3-methoxypropyl)oxamide (PubChem CID 56806727) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N'-(2-cyclohexylpyrazol-3-yl)-N-(3-methoxypropyl)oxamide.

Molecular Properties

Compound NameN'-(2-cyclohexylpyrazol-3-yl)-N-(3-methoxypropyl)oxamide
PubChem CID56806727
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN'-(2-cyclohexylpyrazol-3-yl)-N-(3-methoxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C15H24N4O3/c1-22-11-5-9-16-14(20)15(21)18-13-8-10-17-19(13)12-6-3-2-4-7-12/h8,10,12H,2-7,9,11H2,1H3,(H,16,20)(H,18,21)
InChIKeyCQVUGJIIKITGSP-UHFFFAOYSA-N
XLogP1.48
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclohexylpyrazol-3-yl)-N-(3-methoxypropyl)oxamide?
The IUPAC name of N'-(2-cyclohexylpyrazol-3-yl)-N-(3-methoxypropyl)oxamide (CID 56806727) is N'-(2-cyclohexylpyrazol-3-yl)-N-(3-methoxypropyl)oxamide.
What is the SMILES notation for N'-(2-cyclohexylpyrazol-3-yl)-N-(3-methoxypropyl)oxamide?
The canonical SMILES for N'-(2-cyclohexylpyrazol-3-yl)-N-(3-methoxypropyl)oxamide is COCCCNC(=O)C(=O)Nc1ccnn1C1CCCCC1.
What is the InChIKey of N'-(2-cyclohexylpyrazol-3-yl)-N-(3-methoxypropyl)oxamide?
The InChIKey is CQVUGJIIKITGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-22-11-5-9-16-14(20)15(21)18-13-8-10-17-19(13)12-6-3-2-4-7-12/h8,10,12H,2-7,9,11H2,1H3,(H,16,20)(H,18,21).
What are the key properties of N'-(2-cyclohexylpyrazol-3-yl)-N-(3-methoxypropyl)oxamide?
N'-(2-cyclohexylpyrazol-3-yl)-N-(3-methoxypropyl)oxamide has a molecular weight of 308.38 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclohexylpyrazol-3-yl)-N-(3-methoxypropyl)oxamide is sourced from PubChem (CID 56806727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).