3-ethyl-5-methyl-4H-pyrazole

C6H10N2 — CID 59050127

IUPAC3-ethyl-5-methyl-4H-pyrazole
SMILESCCC1=NN=C(C)C1
InChIInChI=1S/C6H10N2/c1-3-6-4-5(2)7-8-6/h3-4H2,1-2H3
InChIKeyYODUTYPNXYJCJS-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.62
Rot. Bonds1

About 3-ethyl-5-methyl-4H-pyrazole

3-ethyl-5-methyl-4H-pyrazole (PubChem CID 59050127) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-ethyl-5-methyl-4H-pyrazole.

Molecular Properties

Compound Name3-ethyl-5-methyl-4H-pyrazole
PubChem CID59050127
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3-ethyl-5-methyl-4H-pyrazole
SMILESCCC1=NN=C(C)C1
InChIInChI=1S/C6H10N2/c1-3-6-4-5(2)7-8-6/h3-4H2,1-2H3
InChIKeyYODUTYPNXYJCJS-UHFFFAOYSA-N
XLogP1.62
TPSA24.72 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 ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-4H-pyrazole?
The IUPAC name of 3-ethyl-5-methyl-4H-pyrazole (CID 59050127) is 3-ethyl-5-methyl-4H-pyrazole.
What is the SMILES notation for 3-ethyl-5-methyl-4H-pyrazole?
The canonical SMILES for 3-ethyl-5-methyl-4H-pyrazole is CCC1=NN=C(C)C1.
What is the InChIKey of 3-ethyl-5-methyl-4H-pyrazole?
The InChIKey is YODUTYPNXYJCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-6-4-5(2)7-8-6/h3-4H2,1-2H3.
What are the key properties of 3-ethyl-5-methyl-4H-pyrazole?
3-ethyl-5-methyl-4H-pyrazole has a molecular weight of 110.16 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-4H-pyrazole is sourced from PubChem (CID 59050127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).