2,5-diethyl-3,4-dihydropyrazole

C7H14N2 — CID 19604045

IUPAC2,5-diethyl-3,4-dihydropyrazole
SMILESCCC1=NN(CC)CC1
InChIInChI=1S/C7H14N2/c1-3-7-5-6-9(4-2)8-7/h3-6H2,1-2H3
InChIKeyVZJKEDUIVVEXCZ-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.48
Rot. Bonds2

About 2,5-diethyl-3,4-dihydropyrazole

2,5-diethyl-3,4-dihydropyrazole (PubChem CID 19604045) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2,5-diethyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2,5-diethyl-3,4-dihydropyrazole
PubChem CID19604045
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2,5-diethyl-3,4-dihydropyrazole
SMILESCCC1=NN(CC)CC1
InChIInChI=1S/C7H14N2/c1-3-7-5-6-9(4-2)8-7/h3-6H2,1-2H3
InChIKeyVZJKEDUIVVEXCZ-UHFFFAOYSA-N
XLogP1.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-3,4-dihydropyrazole?
The IUPAC name of 2,5-diethyl-3,4-dihydropyrazole (CID 19604045) is 2,5-diethyl-3,4-dihydropyrazole.
What is the SMILES notation for 2,5-diethyl-3,4-dihydropyrazole?
The canonical SMILES for 2,5-diethyl-3,4-dihydropyrazole is CCC1=NN(CC)CC1.
What is the InChIKey of 2,5-diethyl-3,4-dihydropyrazole?
The InChIKey is VZJKEDUIVVEXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-7-5-6-9(4-2)8-7/h3-6H2,1-2H3.
What are the key properties of 2,5-diethyl-3,4-dihydropyrazole?
2,5-diethyl-3,4-dihydropyrazole has a molecular weight of 126.20 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-3,4-dihydropyrazole is sourced from PubChem (CID 19604045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).