3-ethyl-4,5-dihydro-1H-pyrazole

C5H10N2 — CID 558149

IUPAC3-ethyl-4,5-dihydro-1H-pyrazole
SMILESCCC1=NNCC1
InChIInChI=1S/C5H10N2/c1-2-5-3-4-6-7-5/h6H,2-4H2,1H3
InChIKeyWYAQEFBMDQTMID-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.75
Rot. Bonds1

About 3-ethyl-4,5-dihydro-1H-pyrazole

3-ethyl-4,5-dihydro-1H-pyrazole (PubChem CID 558149) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 3-ethyl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-ethyl-4,5-dihydro-1H-pyrazole
PubChem CID558149
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name3-ethyl-4,5-dihydro-1H-pyrazole
SMILESCCC1=NNCC1
InChIInChI=1S/C5H10N2/c1-2-5-3-4-6-7-5/h6H,2-4H2,1H3
InChIKeyWYAQEFBMDQTMID-UHFFFAOYSA-N
XLogP0.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 3-ethyl-4,5-dihydro-1H-pyrazole (CID 558149) is 3-ethyl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3-ethyl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3-ethyl-4,5-dihydro-1H-pyrazole is CCC1=NNCC1.
What is the InChIKey of 3-ethyl-4,5-dihydro-1H-pyrazole?
The InChIKey is WYAQEFBMDQTMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-2-5-3-4-6-7-5/h6H,2-4H2,1H3.
What are the key properties of 3-ethyl-4,5-dihydro-1H-pyrazole?
3-ethyl-4,5-dihydro-1H-pyrazole has a molecular weight of 98.15 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 558149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).