3,5-diethyl-3-methylpyrazole

C8H14N2 — CID 22590308

IUPAC3,5-diethyl-3-methylpyrazole
SMILESCCC1=CC(C)(CC)N=N1
InChIInChI=1S/C8H14N2/c1-4-7-6-8(3,5-2)10-9-7/h6H,4-5H2,1-3H3
InChIKeyGKQGYRHXBKFCIA-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.91
Rot. Bonds2

About 3,5-diethyl-3-methylpyrazole

3,5-diethyl-3-methylpyrazole (PubChem CID 22590308) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3,5-diethyl-3-methylpyrazole.

Molecular Properties

Compound Name3,5-diethyl-3-methylpyrazole
PubChem CID22590308
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3,5-diethyl-3-methylpyrazole
SMILESCCC1=CC(C)(CC)N=N1
InChIInChI=1S/C8H14N2/c1-4-7-6-8(3,5-2)10-9-7/h6H,4-5H2,1-3H3
InChIKeyGKQGYRHXBKFCIA-UHFFFAOYSA-N
XLogP2.91
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-3-methylpyrazole?
The IUPAC name of 3,5-diethyl-3-methylpyrazole (CID 22590308) is 3,5-diethyl-3-methylpyrazole.
What is the SMILES notation for 3,5-diethyl-3-methylpyrazole?
The canonical SMILES for 3,5-diethyl-3-methylpyrazole is CCC1=CC(C)(CC)N=N1.
What is the InChIKey of 3,5-diethyl-3-methylpyrazole?
The InChIKey is GKQGYRHXBKFCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-7-6-8(3,5-2)10-9-7/h6H,4-5H2,1-3H3.
What are the key properties of 3,5-diethyl-3-methylpyrazole?
3,5-diethyl-3-methylpyrazole has a molecular weight of 138.21 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-3-methylpyrazole is sourced from PubChem (CID 22590308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).