3,5-diethyl-1,4-dimethylpyrazole

C9H16N2 — CID 44720131

IUPAC3,5-diethyl-1,4-dimethylpyrazole
SMILESCCc1nn(C)c(CC)c1C
InChIInChI=1S/C9H16N2/c1-5-8-7(3)9(6-2)11(4)10-8/h5-6H2,1-4H3
InChIKeyGAJSAMXMHYCOEY-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.85
Rot. Bonds2

About 3,5-diethyl-1,4-dimethylpyrazole

3,5-diethyl-1,4-dimethylpyrazole (PubChem CID 44720131) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3,5-diethyl-1,4-dimethylpyrazole.

Molecular Properties

Compound Name3,5-diethyl-1,4-dimethylpyrazole
PubChem CID44720131
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3,5-diethyl-1,4-dimethylpyrazole
SMILESCCc1nn(C)c(CC)c1C
InChIInChI=1S/C9H16N2/c1-5-8-7(3)9(6-2)11(4)10-8/h5-6H2,1-4H3
InChIKeyGAJSAMXMHYCOEY-UHFFFAOYSA-N
XLogP1.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1,4-dimethylpyrazole?
The IUPAC name of 3,5-diethyl-1,4-dimethylpyrazole (CID 44720131) is 3,5-diethyl-1,4-dimethylpyrazole.
What is the SMILES notation for 3,5-diethyl-1,4-dimethylpyrazole?
The canonical SMILES for 3,5-diethyl-1,4-dimethylpyrazole is CCc1nn(C)c(CC)c1C.
What is the InChIKey of 3,5-diethyl-1,4-dimethylpyrazole?
The InChIKey is GAJSAMXMHYCOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-8-7(3)9(6-2)11(4)10-8/h5-6H2,1-4H3.
What are the key properties of 3,5-diethyl-1,4-dimethylpyrazole?
3,5-diethyl-1,4-dimethylpyrazole has a molecular weight of 152.24 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1,4-dimethylpyrazole is sourced from PubChem (CID 44720131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).