1-[[1-(3-methoxypropyl)cyclohexyl]methyl]-5-methylpyrazole

C15H26N2O — CID 89498523

IUPAC1-[[1-(3-methoxypropyl)cyclohexyl]methyl]-5-methylpyrazole
SMILESCOCCCC1(Cn2nccc2C)CCCCC1
InChIInChI=1S/C15H26N2O/c1-14-7-11-16-17(14)13-15(10-6-12-18-2)8-4-3-5-9-15/h7,11H,3-6,8-10,12-13H2,1-2H3
InChIKeyMGFVDYRMABEFQK-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.57
Rot. Bonds6

About 1-[[1-(3-methoxypropyl)cyclohexyl]methyl]-5-methylpyrazole

1-[[1-(3-methoxypropyl)cyclohexyl]methyl]-5-methylpyrazole (PubChem CID 89498523) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[[1-(3-methoxypropyl)cyclohexyl]methyl]-5-methylpyrazole.

Molecular Properties

Compound Name1-[[1-(3-methoxypropyl)cyclohexyl]methyl]-5-methylpyrazole
PubChem CID89498523
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[[1-(3-methoxypropyl)cyclohexyl]methyl]-5-methylpyrazole
SMILESCOCCCC1(Cn2nccc2C)CCCCC1
InChIInChI=1S/C15H26N2O/c1-14-7-11-16-17(14)13-15(10-6-12-18-2)8-4-3-5-9-15/h7,11H,3-6,8-10,12-13H2,1-2H3
InChIKeyMGFVDYRMABEFQK-UHFFFAOYSA-N
XLogP3.57
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[[1-(3-methoxypropyl)cyclohexyl]methyl]-5-methylpyrazole?
The IUPAC name of 1-[[1-(3-methoxypropyl)cyclohexyl]methyl]-5-methylpyrazole (CID 89498523) is 1-[[1-(3-methoxypropyl)cyclohexyl]methyl]-5-methylpyrazole.
What is the SMILES notation for 1-[[1-(3-methoxypropyl)cyclohexyl]methyl]-5-methylpyrazole?
The canonical SMILES for 1-[[1-(3-methoxypropyl)cyclohexyl]methyl]-5-methylpyrazole is COCCCC1(Cn2nccc2C)CCCCC1.
What is the InChIKey of 1-[[1-(3-methoxypropyl)cyclohexyl]methyl]-5-methylpyrazole?
The InChIKey is MGFVDYRMABEFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-14-7-11-16-17(14)13-15(10-6-12-18-2)8-4-3-5-9-15/h7,11H,3-6,8-10,12-13H2,1-2H3.
What are the key properties of 1-[[1-(3-methoxypropyl)cyclohexyl]methyl]-5-methylpyrazole?
1-[[1-(3-methoxypropyl)cyclohexyl]methyl]-5-methylpyrazole has a molecular weight of 250.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-methoxypropyl)cyclohexyl]methyl]-5-methylpyrazole is sourced from PubChem (CID 89498523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).