2-ethyl-3-methyl-3,4-dihydropyrazole

C6H12N2 — CID 91751204

IUPAC2-ethyl-3-methyl-3,4-dihydropyrazole
SMILESCCN1N=CCC1C
InChIInChI=1S/C6H12N2/c1-3-8-6(2)4-5-7-8/h5-6H,3-4H2,1-2H3
InChIKeyJSOODOAWWSZHPL-UHFFFAOYSA-N
MW112.18 g/mol
LogP1.09
Rot. Bonds1

About 2-ethyl-3-methyl-3,4-dihydropyrazole

2-ethyl-3-methyl-3,4-dihydropyrazole (PubChem CID 91751204) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-ethyl-3-methyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-ethyl-3-methyl-3,4-dihydropyrazole
PubChem CID91751204
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-ethyl-3-methyl-3,4-dihydropyrazole
SMILESCCN1N=CCC1C
InChIInChI=1S/C6H12N2/c1-3-8-6(2)4-5-7-8/h5-6H,3-4H2,1-2H3
InChIKeyJSOODOAWWSZHPL-UHFFFAOYSA-N
XLogP1.09
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-3,4-dihydropyrazole?
The IUPAC name of 2-ethyl-3-methyl-3,4-dihydropyrazole (CID 91751204) is 2-ethyl-3-methyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-ethyl-3-methyl-3,4-dihydropyrazole?
The canonical SMILES for 2-ethyl-3-methyl-3,4-dihydropyrazole is CCN1N=CCC1C.
What is the InChIKey of 2-ethyl-3-methyl-3,4-dihydropyrazole?
The InChIKey is JSOODOAWWSZHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-8-6(2)4-5-7-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-3-methyl-3,4-dihydropyrazole?
2-ethyl-3-methyl-3,4-dihydropyrazole has a molecular weight of 112.18 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-3,4-dihydropyrazole is sourced from PubChem (CID 91751204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).