5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]-1,3-dimethylpyrazole

C14H23ClN2O — CID 60796738

IUPAC5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]-1,3-dimethylpyrazole
SMILESCCC1CCCCC1OCc1c(C)nn(C)c1Cl
InChIInChI=1S/C14H23ClN2O/c1-4-11-7-5-6-8-13(11)18-9-12-10(2)16-17(3)14(12)15/h11,13H,4-9H2,1-3H3
InChIKeyGZXHNOOTTQMAIV-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.87
Rot. Bonds4

About 5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]-1,3-dimethylpyrazole

5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]-1,3-dimethylpyrazole (PubChem CID 60796738) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]-1,3-dimethylpyrazole
PubChem CID60796738
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]-1,3-dimethylpyrazole
SMILESCCC1CCCCC1OCc1c(C)nn(C)c1Cl
InChIInChI=1S/C14H23ClN2O/c1-4-11-7-5-6-8-13(11)18-9-12-10(2)16-17(3)14(12)15/h11,13H,4-9H2,1-3H3
InChIKeyGZXHNOOTTQMAIV-UHFFFAOYSA-N
XLogP3.87
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]-1,3-dimethylpyrazole?
The IUPAC name of 5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]-1,3-dimethylpyrazole (CID 60796738) is 5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]-1,3-dimethylpyrazole.
What is the SMILES notation for 5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]-1,3-dimethylpyrazole?
The canonical SMILES for 5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]-1,3-dimethylpyrazole is CCC1CCCCC1OCc1c(C)nn(C)c1Cl.
What is the InChIKey of 5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]-1,3-dimethylpyrazole?
The InChIKey is GZXHNOOTTQMAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-4-11-7-5-6-8-13(11)18-9-12-10(2)16-17(3)14(12)15/h11,13H,4-9H2,1-3H3.
What are the key properties of 5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]-1,3-dimethylpyrazole?
5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]-1,3-dimethylpyrazole has a molecular weight of 270.80 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]-1,3-dimethylpyrazole is sourced from PubChem (CID 60796738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).