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

C6H10N2 — CID 67790953

IUPAC3-ethenyl-5-methyl-2,3-dihydro-1H-pyrazole
SMILESC=CC1C=C(C)NN1
InChIInChI=1S/C6H10N2/c1-3-6-4-5(2)7-8-6/h3-4,6-8H,1H2,2H3
InChIKeyGCSWORJUHQIHHH-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.55
Rot. Bonds1

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

3-ethenyl-5-methyl-2,3-dihydro-1H-pyrazole (PubChem CID 67790953) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-ethenyl-5-methyl-2,3-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-ethenyl-5-methyl-2,3-dihydro-1H-pyrazole
PubChem CID67790953
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3-ethenyl-5-methyl-2,3-dihydro-1H-pyrazole
SMILESC=CC1C=C(C)NN1
InChIInChI=1S/C6H10N2/c1-3-6-4-5(2)7-8-6/h3-4,6-8H,1H2,2H3
InChIKeyGCSWORJUHQIHHH-UHFFFAOYSA-N
XLogP0.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-methyl-2,3-dihydro-1H-pyrazole?
The IUPAC name of 3-ethenyl-5-methyl-2,3-dihydro-1H-pyrazole (CID 67790953) is 3-ethenyl-5-methyl-2,3-dihydro-1H-pyrazole.
What is the SMILES notation for 3-ethenyl-5-methyl-2,3-dihydro-1H-pyrazole?
The canonical SMILES for 3-ethenyl-5-methyl-2,3-dihydro-1H-pyrazole is C=CC1C=C(C)NN1.
What is the InChIKey of 3-ethenyl-5-methyl-2,3-dihydro-1H-pyrazole?
The InChIKey is GCSWORJUHQIHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-6-4-5(2)7-8-6/h3-4,6-8H,1H2,2H3.
What are the key properties of 3-ethenyl-5-methyl-2,3-dihydro-1H-pyrazole?
3-ethenyl-5-methyl-2,3-dihydro-1H-pyrazole has a molecular weight of 110.16 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-methyl-2,3-dihydro-1H-pyrazole is sourced from PubChem (CID 67790953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).