1-(ethoxymethyl)-3-methylpyrazole

C7H12N2O — CID 59826790

IUPAC1-(ethoxymethyl)-3-methylpyrazole
SMILESCCOCn1ccc(C)n1
InChIInChI=1S/C7H12N2O/c1-3-10-6-9-5-4-7(2)8-9/h4-5H,3,6H2,1-2H3
InChIKeyROFWJYAOXJPBCD-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.19
Rot. Bonds3

About 1-(ethoxymethyl)-3-methylpyrazole

1-(ethoxymethyl)-3-methylpyrazole (PubChem CID 59826790) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(ethoxymethyl)-3-methylpyrazole.

Molecular Properties

Compound Name1-(ethoxymethyl)-3-methylpyrazole
PubChem CID59826790
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-(ethoxymethyl)-3-methylpyrazole
SMILESCCOCn1ccc(C)n1
InChIInChI=1S/C7H12N2O/c1-3-10-6-9-5-4-7(2)8-9/h4-5H,3,6H2,1-2H3
InChIKeyROFWJYAOXJPBCD-UHFFFAOYSA-N
XLogP1.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrazole, 1,3-dimethyl-
CID 79096
(1-Methyl-1H-pyrazol-5-yl)methanamine
CID 7019421
1,5-Dimethylpyrazole
CID 136502
N-Hydroxymethyl-3-methylpyrazole
CID 127159
3-(Chloromethyl)-1-methyl-1H-pyrazole
CID 423923
1-(2-Chloroethyl)-3-methyl-1H-pyrazole
CID 13764853
1-Methyl-5-(trifluoromethyl)-1H-pyrazole
CID 15420922
1-Methyl-1H-pyrazole-3-carbonitrile
CID 12747510
3-Ethenyl-1,2-dimethylpyrazol-1-ium
CID 170067118
3-ethynyl-1-methyl-1H-pyrazole
CID 12298391
2-(3-Methyl-1H-pyrazol-1-yl)ethan-1-ol
CID 19621865
3-(Chloromethyl)-1-methyl-1H-pyrazole hydrochloride
CID 12845049

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-3-methylpyrazole?
The IUPAC name of 1-(ethoxymethyl)-3-methylpyrazole (CID 59826790) is 1-(ethoxymethyl)-3-methylpyrazole.
What is the SMILES notation for 1-(ethoxymethyl)-3-methylpyrazole?
The canonical SMILES for 1-(ethoxymethyl)-3-methylpyrazole is CCOCn1ccc(C)n1.
What is the InChIKey of 1-(ethoxymethyl)-3-methylpyrazole?
The InChIKey is ROFWJYAOXJPBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-10-6-9-5-4-7(2)8-9/h4-5H,3,6H2,1-2H3.
What are the key properties of 1-(ethoxymethyl)-3-methylpyrazole?
1-(ethoxymethyl)-3-methylpyrazole has a molecular weight of 140.19 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-3-methylpyrazole is sourced from PubChem (CID 59826790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).