5-chloro-4-cyclohexyloxy-1-(oxan-3-yl)pyrazole

C14H21ClN2O2 — CID 117232039

IUPAC5-chloro-4-cyclohexyloxy-1-(oxan-3-yl)pyrazole
SMILESClc1c(OC2CCCCC2)cnn1C1CCCOC1
InChIInChI=1S/C14H21ClN2O2/c15-14-13(19-12-6-2-1-3-7-12)9-16-17(14)11-5-4-8-18-10-11/h9,11-12H,1-8,10H2
InChIKeyDWLANJVFDCYAFL-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.60
Rot. Bonds3

About 5-chloro-4-cyclohexyloxy-1-(oxan-3-yl)pyrazole

5-chloro-4-cyclohexyloxy-1-(oxan-3-yl)pyrazole (PubChem CID 117232039) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 5-chloro-4-cyclohexyloxy-1-(oxan-3-yl)pyrazole.

Molecular Properties

Compound Name5-chloro-4-cyclohexyloxy-1-(oxan-3-yl)pyrazole
PubChem CID117232039
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name5-chloro-4-cyclohexyloxy-1-(oxan-3-yl)pyrazole
SMILESClc1c(OC2CCCCC2)cnn1C1CCCOC1
InChIInChI=1S/C14H21ClN2O2/c15-14-13(19-12-6-2-1-3-7-12)9-16-17(14)11-5-4-8-18-10-11/h9,11-12H,1-8,10H2
InChIKeyDWLANJVFDCYAFL-UHFFFAOYSA-N
XLogP3.60
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-cyclopentyloxy-1-(oxan-3-ylmethyl)pyrazole
CID 117232356
5-chloro-1-(oxan-3-yl)pyrazol-4-ol
CID 117232043
4-cyclopentyloxy-1-(oxolan-3-yl)pyrazole-5-carboxylic acid
CID 117231819
4-chloro-5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one
CID 86335249
5-chloro-4-cyclopentyloxy-1-(thian-2-yl)pyrazole
CID 117232176
5-chloro-4-cyclopentyloxy-1-pyrrolidin-2-ylpyrazole
CID 117232102
1-tert-butyl-5-chloro-4-cyclopentyloxypyrazole
CID 117232843
5-bromo-4-cyclopentyloxy-1-(oxolan-2-yl)pyrazole
CID 117232101
1-cyclohexyl-4-cyclohexyloxypyrazole-5-carboxylic acid
CID 117233178
5-chloro-4-cyclohexyloxy-1-(2-methylphenyl)pyrazole
CID 117232974
5-chloro-4-cyclohexyloxy-1-[(1-methylpyrrolidin-3-yl)methyl]pyrazole
CID 117231920
5-methoxy-2-[(3R)-oxan-3-yl]pyridazin-3-one
CID 86335303

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-cyclohexyloxy-1-(oxan-3-yl)pyrazole?
The IUPAC name of 5-chloro-4-cyclohexyloxy-1-(oxan-3-yl)pyrazole (CID 117232039) is 5-chloro-4-cyclohexyloxy-1-(oxan-3-yl)pyrazole.
What is the SMILES notation for 5-chloro-4-cyclohexyloxy-1-(oxan-3-yl)pyrazole?
The canonical SMILES for 5-chloro-4-cyclohexyloxy-1-(oxan-3-yl)pyrazole is Clc1c(OC2CCCCC2)cnn1C1CCCOC1.
What is the InChIKey of 5-chloro-4-cyclohexyloxy-1-(oxan-3-yl)pyrazole?
The InChIKey is DWLANJVFDCYAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c15-14-13(19-12-6-2-1-3-7-12)9-16-17(14)11-5-4-8-18-10-11/h9,11-12H,1-8,10H2.
What are the key properties of 5-chloro-4-cyclohexyloxy-1-(oxan-3-yl)pyrazole?
5-chloro-4-cyclohexyloxy-1-(oxan-3-yl)pyrazole has a molecular weight of 284.79 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-cyclohexyloxy-1-(oxan-3-yl)pyrazole is sourced from PubChem (CID 117232039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).