3-ethenyl-2-ethyl-3,4-dihydropyrazole

C7H12N2 — CID 163229565

IUPAC3-ethenyl-2-ethyl-3,4-dihydropyrazole
SMILESC=CC1CC=NN1CC
InChIInChI=1S/C7H12N2/c1-3-7-5-6-8-9(7)4-2/h3,6-7H,1,4-5H2,2H3
InChIKeyYPAOBFSVPGDUKE-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.25
Rot. Bonds2

About 3-ethenyl-2-ethyl-3,4-dihydropyrazole

3-ethenyl-2-ethyl-3,4-dihydropyrazole (PubChem CID 163229565) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3-ethenyl-2-ethyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-ethenyl-2-ethyl-3,4-dihydropyrazole
PubChem CID163229565
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3-ethenyl-2-ethyl-3,4-dihydropyrazole
SMILESC=CC1CC=NN1CC
InChIInChI=1S/C7H12N2/c1-3-7-5-6-8-9(7)4-2/h3,6-7H,1,4-5H2,2H3
InChIKeyYPAOBFSVPGDUKE-UHFFFAOYSA-N
XLogP1.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
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-ethyl-3,4-dihydropyrazole?
The IUPAC name of 3-ethenyl-2-ethyl-3,4-dihydropyrazole (CID 163229565) is 3-ethenyl-2-ethyl-3,4-dihydropyrazole.
What is the SMILES notation for 3-ethenyl-2-ethyl-3,4-dihydropyrazole?
The canonical SMILES for 3-ethenyl-2-ethyl-3,4-dihydropyrazole is C=CC1CC=NN1CC.
What is the InChIKey of 3-ethenyl-2-ethyl-3,4-dihydropyrazole?
The InChIKey is YPAOBFSVPGDUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-7-5-6-8-9(7)4-2/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 3-ethenyl-2-ethyl-3,4-dihydropyrazole?
3-ethenyl-2-ethyl-3,4-dihydropyrazole has a molecular weight of 124.19 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-ethyl-3,4-dihydropyrazole is sourced from PubChem (CID 163229565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).