3-ethyl-1-methylpyrazole

C6H10N2 — CID 12581083

IUPAC3-ethyl-1-methylpyrazole
SMILESCCc1ccn(C)n1
InChIInChI=1S/C6H10N2/c1-3-6-4-5-8(2)7-6/h4-5H,3H2,1-2H3
InChIKeyZAXITHHHFYZUGN-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.98
Rot. Bonds1

About 3-ethyl-1-methylpyrazole

3-ethyl-1-methylpyrazole (PubChem CID 12581083) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-ethyl-1-methylpyrazole.

Molecular Properties

Compound Name3-ethyl-1-methylpyrazole
PubChem CID12581083
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3-ethyl-1-methylpyrazole
SMILESCCc1ccn(C)n1
InChIInChI=1S/C6H10N2/c1-3-6-4-5-8(2)7-6/h4-5H,3H2,1-2H3
InChIKeyZAXITHHHFYZUGN-UHFFFAOYSA-N
XLogP0.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-methylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methylpyrazole?
The IUPAC name of 3-ethyl-1-methylpyrazole (CID 12581083) is 3-ethyl-1-methylpyrazole.
What is the SMILES notation for 3-ethyl-1-methylpyrazole?
The canonical SMILES for 3-ethyl-1-methylpyrazole is CCc1ccn(C)n1.
What is the InChIKey of 3-ethyl-1-methylpyrazole?
The InChIKey is ZAXITHHHFYZUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-6-4-5-8(2)7-6/h4-5H,3H2,1-2H3.
What are the key properties of 3-ethyl-1-methylpyrazole?
3-ethyl-1-methylpyrazole has a molecular weight of 110.16 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methylpyrazole is sourced from PubChem (CID 12581083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).