1-[(1-methoxycyclohexyl)methyl]-5-methylpyrazole

C12H20N2O — CID 89498212

IUPAC1-[(1-methoxycyclohexyl)methyl]-5-methylpyrazole
SMILESCOC1(Cn2nccc2C)CCCCC1
InChIInChI=1S/C12H20N2O/c1-11-6-9-13-14(11)10-12(15-2)7-4-3-5-8-12/h6,9H,3-5,7-8,10H2,1-2H3
InChIKeyQZRXIHUUJBDDPA-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.54
Rot. Bonds3

About 1-[(1-methoxycyclohexyl)methyl]-5-methylpyrazole

1-[(1-methoxycyclohexyl)methyl]-5-methylpyrazole (PubChem CID 89498212) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-[(1-methoxycyclohexyl)methyl]-5-methylpyrazole.

Molecular Properties

Compound Name1-[(1-methoxycyclohexyl)methyl]-5-methylpyrazole
PubChem CID89498212
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-[(1-methoxycyclohexyl)methyl]-5-methylpyrazole
SMILESCOC1(Cn2nccc2C)CCCCC1
InChIInChI=1S/C12H20N2O/c1-11-6-9-13-14(11)10-12(15-2)7-4-3-5-8-12/h6,9H,3-5,7-8,10H2,1-2H3
InChIKeyQZRXIHUUJBDDPA-UHFFFAOYSA-N
XLogP2.54
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methoxycyclohexyl)methyl]-5-methylpyrazole?
The IUPAC name of 1-[(1-methoxycyclohexyl)methyl]-5-methylpyrazole (CID 89498212) is 1-[(1-methoxycyclohexyl)methyl]-5-methylpyrazole.
What is the SMILES notation for 1-[(1-methoxycyclohexyl)methyl]-5-methylpyrazole?
The canonical SMILES for 1-[(1-methoxycyclohexyl)methyl]-5-methylpyrazole is COC1(Cn2nccc2C)CCCCC1.
What is the InChIKey of 1-[(1-methoxycyclohexyl)methyl]-5-methylpyrazole?
The InChIKey is QZRXIHUUJBDDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-11-6-9-13-14(11)10-12(15-2)7-4-3-5-8-12/h6,9H,3-5,7-8,10H2,1-2H3.
What are the key properties of 1-[(1-methoxycyclohexyl)methyl]-5-methylpyrazole?
1-[(1-methoxycyclohexyl)methyl]-5-methylpyrazole has a molecular weight of 208.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methoxycyclohexyl)methyl]-5-methylpyrazole is sourced from PubChem (CID 89498212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).