5-chloro-4-(ethoxymethyl)-1,3-dimethylpyrazole

C8H13ClN2O — CID 60796732

IUPAC5-chloro-4-(ethoxymethyl)-1,3-dimethylpyrazole
SMILESCCOCc1c(C)nn(C)c1Cl
InChIInChI=1S/C8H13ClN2O/c1-4-12-5-7-6(2)10-11(3)8(7)9/h4-5H2,1-3H3
InChIKeyUDRAXYLOXXXBOY-UHFFFAOYSA-N
MW188.66 g/mol
LogP1.92
Rot. Bonds3

About 5-chloro-4-(ethoxymethyl)-1,3-dimethylpyrazole

5-chloro-4-(ethoxymethyl)-1,3-dimethylpyrazole (PubChem CID 60796732) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is 5-chloro-4-(ethoxymethyl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-chloro-4-(ethoxymethyl)-1,3-dimethylpyrazole
PubChem CID60796732
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name5-chloro-4-(ethoxymethyl)-1,3-dimethylpyrazole
SMILESCCOCc1c(C)nn(C)c1Cl
InChIInChI=1S/C8H13ClN2O/c1-4-12-5-7-6(2)10-11(3)8(7)9/h4-5H2,1-3H3
InChIKeyUDRAXYLOXXXBOY-UHFFFAOYSA-N
XLogP1.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-bromophenyl)methoxymethyl]-5-chloro-1,3-dimethylpyrazole
CID 82824380
5-chloro-4-(2-cyclopropylethoxymethyl)-1,3-dimethylpyrazole
CID 106201252
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine
CID 115576209
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-ethoxybutan-2-one
CID 105128169
5-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]ethyl]-4-methyl-1,3-thiazole
CID 60796740
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxymethyl]piperidine
CID 113470030
5-chloro-4-[[2-(chloromethyl)phenoxy]methyl]-1,3-dimethylpyrazole
CID 113470016
5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]-1,3-dimethylpyrazole
CID 60796738
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethoxypentan-2-ol
CID 116711010
2-chloro-3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]pyridine
CID 115634537
5-chloro-4-[(2,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazole
CID 54920811
[4-(2-ethoxyethoxymethyl)-1,3-dimethylpyrazol-5-yl]hydrazine
CID 62246595

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(ethoxymethyl)-1,3-dimethylpyrazole?
The IUPAC name of 5-chloro-4-(ethoxymethyl)-1,3-dimethylpyrazole (CID 60796732) is 5-chloro-4-(ethoxymethyl)-1,3-dimethylpyrazole.
What is the SMILES notation for 5-chloro-4-(ethoxymethyl)-1,3-dimethylpyrazole?
The canonical SMILES for 5-chloro-4-(ethoxymethyl)-1,3-dimethylpyrazole is CCOCc1c(C)nn(C)c1Cl.
What is the InChIKey of 5-chloro-4-(ethoxymethyl)-1,3-dimethylpyrazole?
The InChIKey is UDRAXYLOXXXBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O/c1-4-12-5-7-6(2)10-11(3)8(7)9/h4-5H2,1-3H3.
What are the key properties of 5-chloro-4-(ethoxymethyl)-1,3-dimethylpyrazole?
5-chloro-4-(ethoxymethyl)-1,3-dimethylpyrazole has a molecular weight of 188.66 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(ethoxymethyl)-1,3-dimethylpyrazole is sourced from PubChem (CID 60796732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).