5-ethyl-5-methyl-1,4-dihydropyrazole

C6H12N2 — CID 71352796

IUPAC5-ethyl-5-methyl-1,4-dihydropyrazole
SMILESCCC1(C)CC=NN1
InChIInChI=1S/C6H12N2/c1-3-6(2)4-5-7-8-6/h5,8H,3-4H2,1-2H3
InChIKeyPYMHAFLRPRPQQA-UHFFFAOYSA-N
MW112.18 g/mol
LogP1.13
Rot. Bonds1

About 5-ethyl-5-methyl-1,4-dihydropyrazole

5-ethyl-5-methyl-1,4-dihydropyrazole (PubChem CID 71352796) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 5-ethyl-5-methyl-1,4-dihydropyrazole.

Molecular Properties

Compound Name5-ethyl-5-methyl-1,4-dihydropyrazole
PubChem CID71352796
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name5-ethyl-5-methyl-1,4-dihydropyrazole
SMILESCCC1(C)CC=NN1
InChIInChI=1S/C6H12N2/c1-3-6(2)4-5-7-8-6/h5,8H,3-4H2,1-2H3
InChIKeyPYMHAFLRPRPQQA-UHFFFAOYSA-N
XLogP1.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-1,4-dihydropyrazole?
The IUPAC name of 5-ethyl-5-methyl-1,4-dihydropyrazole (CID 71352796) is 5-ethyl-5-methyl-1,4-dihydropyrazole.
What is the SMILES notation for 5-ethyl-5-methyl-1,4-dihydropyrazole?
The canonical SMILES for 5-ethyl-5-methyl-1,4-dihydropyrazole is CCC1(C)CC=NN1.
What is the InChIKey of 5-ethyl-5-methyl-1,4-dihydropyrazole?
The InChIKey is PYMHAFLRPRPQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-6(2)4-5-7-8-6/h5,8H,3-4H2,1-2H3.
What are the key properties of 5-ethyl-5-methyl-1,4-dihydropyrazole?
5-ethyl-5-methyl-1,4-dihydropyrazole has a molecular weight of 112.18 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-1,4-dihydropyrazole is sourced from PubChem (CID 71352796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).