4-cyclohexyloxy-1H-pyrazole

C9H14N2O — CID 117233527

IUPAC4-cyclohexyloxy-1H-pyrazole
SMILESc1n[nH]cc1OC1CCCCC1
InChIInChI=1S/C9H14N2O/c1-2-4-8(5-3-1)12-9-6-10-11-7-9/h6-8H,1-5H2,(H,10,11)
InChIKeyURLWWWXJTUMXGI-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.12
Rot. Bonds2

About 4-cyclohexyloxy-1H-pyrazole

4-cyclohexyloxy-1H-pyrazole (PubChem CID 117233527) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-cyclohexyloxy-1H-pyrazole.

Molecular Properties

Compound Name4-cyclohexyloxy-1H-pyrazole
PubChem CID117233527
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-cyclohexyloxy-1H-pyrazole
SMILESc1n[nH]cc1OC1CCCCC1
InChIInChI=1S/C9H14N2O/c1-2-4-8(5-3-1)12-9-6-10-11-7-9/h6-8H,1-5H2,(H,10,11)
InChIKeyURLWWWXJTUMXGI-UHFFFAOYSA-N
XLogP2.12
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(thiolan-3-yloxy)-1H-pyrazole
CID 117233398
4-(2-methyloxan-4-yl)oxy-1H-pyrazole
CID 151222380
5-cycloheptyloxypyridine-2-carboxylic acid
CID 115491140
3-cycloheptyloxypyridine
CID 112558615
5-cyclohexyloxypyridin-3-amine
CID 104536072
2-tert-butyl-5-cyclopentyloxypyrimidine
CID 58088013
2-(chloromethyl)-5-cycloheptyloxypyridine
CID 82929271
5-cyclobutyloxypyrimidine-2-carbaldehyde
CID 163242847
4-cyclopentyloxy-1,2-oxazole
CID 117233385
5-cycloheptyloxy-1H-pyrazole
CID 141305272
5-cyclobutyloxy-2-(trifluoromethyl)pyrimidine
CID 153355540
3-bromo-6-cyclohexyloxyimidazo[1,2-a]pyrimidine
CID 160944147

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-1H-pyrazole?
The IUPAC name of 4-cyclohexyloxy-1H-pyrazole (CID 117233527) is 4-cyclohexyloxy-1H-pyrazole.
What is the SMILES notation for 4-cyclohexyloxy-1H-pyrazole?
The canonical SMILES for 4-cyclohexyloxy-1H-pyrazole is c1n[nH]cc1OC1CCCCC1.
What is the InChIKey of 4-cyclohexyloxy-1H-pyrazole?
The InChIKey is URLWWWXJTUMXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-4-8(5-3-1)12-9-6-10-11-7-9/h6-8H,1-5H2,(H,10,11).
What are the key properties of 4-cyclohexyloxy-1H-pyrazole?
4-cyclohexyloxy-1H-pyrazole has a molecular weight of 166.22 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-1H-pyrazole is sourced from PubChem (CID 117233527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).