1-(1-cyclohexyl-3-methoxypropyl)-5-methylpyrazole

C14H24N2O — CID 89498366

IUPAC1-(1-cyclohexyl-3-methoxypropyl)-5-methylpyrazole
SMILESCOCCC(C1CCCCC1)n1nccc1C
InChIInChI=1S/C14H24N2O/c1-12-8-10-15-16(12)14(9-11-17-2)13-6-4-3-5-7-13/h8,10,13-14H,3-7,9,11H2,1-2H3
InChIKeyQXDUYCKCQSAKKX-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.35
Rot. Bonds5

About 1-(1-cyclohexyl-3-methoxypropyl)-5-methylpyrazole

1-(1-cyclohexyl-3-methoxypropyl)-5-methylpyrazole (PubChem CID 89498366) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(1-cyclohexyl-3-methoxypropyl)-5-methylpyrazole.

Molecular Properties

Compound Name1-(1-cyclohexyl-3-methoxypropyl)-5-methylpyrazole
PubChem CID89498366
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(1-cyclohexyl-3-methoxypropyl)-5-methylpyrazole
SMILESCOCCC(C1CCCCC1)n1nccc1C
InChIInChI=1S/C14H24N2O/c1-12-8-10-15-16(12)14(9-11-17-2)13-6-4-3-5-7-13/h8,10,13-14H,3-7,9,11H2,1-2H3
InChIKeyQXDUYCKCQSAKKX-UHFFFAOYSA-N
XLogP3.35
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-3-methoxypropyl)-5-methylpyrazole?
The IUPAC name of 1-(1-cyclohexyl-3-methoxypropyl)-5-methylpyrazole (CID 89498366) is 1-(1-cyclohexyl-3-methoxypropyl)-5-methylpyrazole.
What is the SMILES notation for 1-(1-cyclohexyl-3-methoxypropyl)-5-methylpyrazole?
The canonical SMILES for 1-(1-cyclohexyl-3-methoxypropyl)-5-methylpyrazole is COCCC(C1CCCCC1)n1nccc1C.
What is the InChIKey of 1-(1-cyclohexyl-3-methoxypropyl)-5-methylpyrazole?
The InChIKey is QXDUYCKCQSAKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12-8-10-15-16(12)14(9-11-17-2)13-6-4-3-5-7-13/h8,10,13-14H,3-7,9,11H2,1-2H3.
What are the key properties of 1-(1-cyclohexyl-3-methoxypropyl)-5-methylpyrazole?
1-(1-cyclohexyl-3-methoxypropyl)-5-methylpyrazole has a molecular weight of 236.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-3-methoxypropyl)-5-methylpyrazole is sourced from PubChem (CID 89498366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).