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

C5H8N2 — CID 70405665

IUPAC5-ethenyl-2,3-dihydro-1H-pyrazole
SMILESC=CC1=CCNN1
InChIInChI=1S/C5H8N2/c1-2-5-3-4-6-7-5/h2-3,6-7H,1,4H2
InChIKeyYHTROBHXYBPIBL-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.16
Rot. Bonds1

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

5-ethenyl-2,3-dihydro-1H-pyrazole (PubChem CID 70405665) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 5-ethenyl-2,3-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-ethenyl-2,3-dihydro-1H-pyrazole
PubChem CID70405665
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name5-ethenyl-2,3-dihydro-1H-pyrazole
SMILESC=CC1=CCNN1
InChIInChI=1S/C5H8N2/c1-2-5-3-4-6-7-5/h2-3,6-7H,1,4H2
InChIKeyYHTROBHXYBPIBL-UHFFFAOYSA-N
XLogP0.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2,3-dihydro-1H-pyrazole?
The IUPAC name of 5-ethenyl-2,3-dihydro-1H-pyrazole (CID 70405665) is 5-ethenyl-2,3-dihydro-1H-pyrazole.
What is the SMILES notation for 5-ethenyl-2,3-dihydro-1H-pyrazole?
The canonical SMILES for 5-ethenyl-2,3-dihydro-1H-pyrazole is C=CC1=CCNN1.
What is the InChIKey of 5-ethenyl-2,3-dihydro-1H-pyrazole?
The InChIKey is YHTROBHXYBPIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-2-5-3-4-6-7-5/h2-3,6-7H,1,4H2.
What are the key properties of 5-ethenyl-2,3-dihydro-1H-pyrazole?
5-ethenyl-2,3-dihydro-1H-pyrazole has a molecular weight of 96.13 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2,3-dihydro-1H-pyrazole is sourced from PubChem (CID 70405665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).