5-ethyl-3,4,5-trimethyl-1,4-dihydropyrazole

C8H16N2 — CID 15072840

IUPAC5-ethyl-3,4,5-trimethyl-1,4-dihydropyrazole
SMILESCCC1(C)NN=C(C)C1C
InChIInChI=1S/C8H16N2/c1-5-8(4)6(2)7(3)9-10-8/h6,10H,5H2,1-4H3
InChIKeyDAKUOMXEEJASTB-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.77
Rot. Bonds1

About 5-ethyl-3,4,5-trimethyl-1,4-dihydropyrazole

5-ethyl-3,4,5-trimethyl-1,4-dihydropyrazole (PubChem CID 15072840) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 5-ethyl-3,4,5-trimethyl-1,4-dihydropyrazole.

Molecular Properties

Compound Name5-ethyl-3,4,5-trimethyl-1,4-dihydropyrazole
PubChem CID15072840
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name5-ethyl-3,4,5-trimethyl-1,4-dihydropyrazole
SMILESCCC1(C)NN=C(C)C1C
InChIInChI=1S/C8H16N2/c1-5-8(4)6(2)7(3)9-10-8/h6,10H,5H2,1-4H3
InChIKeyDAKUOMXEEJASTB-UHFFFAOYSA-N
XLogP1.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,4,5-trimethyl-1,4-dihydropyrazole?
The IUPAC name of 5-ethyl-3,4,5-trimethyl-1,4-dihydropyrazole (CID 15072840) is 5-ethyl-3,4,5-trimethyl-1,4-dihydropyrazole.
What is the SMILES notation for 5-ethyl-3,4,5-trimethyl-1,4-dihydropyrazole?
The canonical SMILES for 5-ethyl-3,4,5-trimethyl-1,4-dihydropyrazole is CCC1(C)NN=C(C)C1C.
What is the InChIKey of 5-ethyl-3,4,5-trimethyl-1,4-dihydropyrazole?
The InChIKey is DAKUOMXEEJASTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-8(4)6(2)7(3)9-10-8/h6,10H,5H2,1-4H3.
What are the key properties of 5-ethyl-3,4,5-trimethyl-1,4-dihydropyrazole?
5-ethyl-3,4,5-trimethyl-1,4-dihydropyrazole has a molecular weight of 140.23 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,4,5-trimethyl-1,4-dihydropyrazole is sourced from PubChem (CID 15072840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).