3-ethenyl-2-methyl-1,3-dihydropyrazole

C6H10N2 — CID 134315486

IUPAC3-ethenyl-2-methyl-1,3-dihydropyrazole
SMILESC=CC1C=CNN1C
InChIInChI=1S/C6H10N2/c1-3-6-4-5-7-8(6)2/h3-7H,1H2,2H3
InChIKeyIPTXSSCFDJIWFP-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.50
Rot. Bonds1

About 3-ethenyl-2-methyl-1,3-dihydropyrazole

3-ethenyl-2-methyl-1,3-dihydropyrazole (PubChem CID 134315486) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-ethenyl-2-methyl-1,3-dihydropyrazole.

Molecular Properties

Compound Name3-ethenyl-2-methyl-1,3-dihydropyrazole
PubChem CID134315486
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3-ethenyl-2-methyl-1,3-dihydropyrazole
SMILESC=CC1C=CNN1C
InChIInChI=1S/C6H10N2/c1-3-6-4-5-7-8(6)2/h3-7H,1H2,2H3
InChIKeyIPTXSSCFDJIWFP-UHFFFAOYSA-N
XLogP0.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.50
H-Bond Donors ≤ 51
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-2-methyl-1,3-dihydropyrazole?
The IUPAC name of 3-ethenyl-2-methyl-1,3-dihydropyrazole (CID 134315486) is 3-ethenyl-2-methyl-1,3-dihydropyrazole.
What is the SMILES notation for 3-ethenyl-2-methyl-1,3-dihydropyrazole?
The canonical SMILES for 3-ethenyl-2-methyl-1,3-dihydropyrazole is C=CC1C=CNN1C.
What is the InChIKey of 3-ethenyl-2-methyl-1,3-dihydropyrazole?
The InChIKey is IPTXSSCFDJIWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-6-4-5-7-8(6)2/h3-7H,1H2,2H3.
What are the key properties of 3-ethenyl-2-methyl-1,3-dihydropyrazole?
3-ethenyl-2-methyl-1,3-dihydropyrazole has a molecular weight of 110.16 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-methyl-1,3-dihydropyrazole is sourced from PubChem (CID 134315486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).