3,5-diethyl-2,3-dihydro-1H-pyrazole

C7H14N2 — CID 130328755

IUPAC3,5-diethyl-2,3-dihydro-1H-pyrazole
SMILESCCC1=CC(CC)NN1
InChIInChI=1S/C7H14N2/c1-3-6-5-7(4-2)9-8-6/h5-6,8-9H,3-4H2,1-2H3
InChIKeyWLLGZQAIWMKKTD-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.17
Rot. Bonds2

About 3,5-diethyl-2,3-dihydro-1H-pyrazole

3,5-diethyl-2,3-dihydro-1H-pyrazole (PubChem CID 130328755) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 3,5-diethyl-2,3-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3,5-diethyl-2,3-dihydro-1H-pyrazole
PubChem CID130328755
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name3,5-diethyl-2,3-dihydro-1H-pyrazole
SMILESCCC1=CC(CC)NN1
InChIInChI=1S/C7H14N2/c1-3-6-5-7(4-2)9-8-6/h5-6,8-9H,3-4H2,1-2H3
InChIKeyWLLGZQAIWMKKTD-UHFFFAOYSA-N
XLogP1.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-2,3-dihydro-1H-pyrazole?
The IUPAC name of 3,5-diethyl-2,3-dihydro-1H-pyrazole (CID 130328755) is 3,5-diethyl-2,3-dihydro-1H-pyrazole.
What is the SMILES notation for 3,5-diethyl-2,3-dihydro-1H-pyrazole?
The canonical SMILES for 3,5-diethyl-2,3-dihydro-1H-pyrazole is CCC1=CC(CC)NN1.
What is the InChIKey of 3,5-diethyl-2,3-dihydro-1H-pyrazole?
The InChIKey is WLLGZQAIWMKKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-6-5-7(4-2)9-8-6/h5-6,8-9H,3-4H2,1-2H3.
What are the key properties of 3,5-diethyl-2,3-dihydro-1H-pyrazole?
3,5-diethyl-2,3-dihydro-1H-pyrazole has a molecular weight of 126.20 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-2,3-dihydro-1H-pyrazole is sourced from PubChem (CID 130328755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).