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

C6H12N2 — CID 557773

IUPAC4-ethyl-2-methyl-3,4-dihydropyrazole
SMILESCCC1C=NN(C)C1
InChIInChI=1S/C6H12N2/c1-3-6-4-7-8(2)5-6/h4,6H,3,5H2,1-2H3
InChIKeyDHEAFGCWGYSLFH-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.94
Rot. Bonds1

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

4-ethyl-2-methyl-3,4-dihydropyrazole (PubChem CID 557773) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 4-ethyl-2-methyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name4-ethyl-2-methyl-3,4-dihydropyrazole
PubChem CID557773
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name4-ethyl-2-methyl-3,4-dihydropyrazole
SMILESCCC1C=NN(C)C1
InChIInChI=1S/C6H12N2/c1-3-6-4-7-8(2)5-6/h4,6H,3,5H2,1-2H3
InChIKeyDHEAFGCWGYSLFH-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-3,4-dihydropyrazole?
The IUPAC name of 4-ethyl-2-methyl-3,4-dihydropyrazole (CID 557773) is 4-ethyl-2-methyl-3,4-dihydropyrazole.
What is the SMILES notation for 4-ethyl-2-methyl-3,4-dihydropyrazole?
The canonical SMILES for 4-ethyl-2-methyl-3,4-dihydropyrazole is CCC1C=NN(C)C1.
What is the InChIKey of 4-ethyl-2-methyl-3,4-dihydropyrazole?
The InChIKey is DHEAFGCWGYSLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-6-4-7-8(2)5-6/h4,6H,3,5H2,1-2H3.
What are the key properties of 4-ethyl-2-methyl-3,4-dihydropyrazole?
4-ethyl-2-methyl-3,4-dihydropyrazole has a molecular weight of 112.18 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-3,4-dihydropyrazole is sourced from PubChem (CID 557773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).