3-ethyl-3,5-dimethylpyrazole

C7H12N2 — CID 131858818

IUPAC3-ethyl-3,5-dimethylpyrazole
SMILESCCC1(C)C=C(C)N=N1
InChIInChI=1S/C7H12N2/c1-4-7(3)5-6(2)8-9-7/h5H,4H2,1-3H3
InChIKeyFDFLCJHDJXDUQR-UHFFFAOYSA-N
MW124.19 g/mol
LogP2.52
Rot. Bonds1

About 3-ethyl-3,5-dimethylpyrazole

3-ethyl-3,5-dimethylpyrazole (PubChem CID 131858818) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3-ethyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name3-ethyl-3,5-dimethylpyrazole
PubChem CID131858818
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3-ethyl-3,5-dimethylpyrazole
SMILESCCC1(C)C=C(C)N=N1
InChIInChI=1S/C7H12N2/c1-4-7(3)5-6(2)8-9-7/h5H,4H2,1-3H3
InChIKeyFDFLCJHDJXDUQR-UHFFFAOYSA-N
XLogP2.52
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,5-dimethylpyrazole?
The IUPAC name of 3-ethyl-3,5-dimethylpyrazole (CID 131858818) is 3-ethyl-3,5-dimethylpyrazole.
What is the SMILES notation for 3-ethyl-3,5-dimethylpyrazole?
The canonical SMILES for 3-ethyl-3,5-dimethylpyrazole is CCC1(C)C=C(C)N=N1.
What is the InChIKey of 3-ethyl-3,5-dimethylpyrazole?
The InChIKey is FDFLCJHDJXDUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-7(3)5-6(2)8-9-7/h5H,4H2,1-3H3.
What are the key properties of 3-ethyl-3,5-dimethylpyrazole?
3-ethyl-3,5-dimethylpyrazole has a molecular weight of 124.19 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,5-dimethylpyrazole is sourced from PubChem (CID 131858818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).