4-ethenyl-2-ethyl-5-methyl-1,5-dihydropyrazole

C8H14N2 — CID 166877228

IUPAC4-ethenyl-2-ethyl-5-methyl-1,5-dihydropyrazole
SMILESC=CC1=CN(CC)NC1C
InChIInChI=1S/C8H14N2/c1-4-8-6-10(5-2)9-7(8)3/h4,6-7,9H,1,5H2,2-3H3
InChIKeyGQAFPMICWJWWLW-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.28
Rot. Bonds2

About 4-ethenyl-2-ethyl-5-methyl-1,5-dihydropyrazole

4-ethenyl-2-ethyl-5-methyl-1,5-dihydropyrazole (PubChem CID 166877228) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-ethenyl-2-ethyl-5-methyl-1,5-dihydropyrazole.

Molecular Properties

Compound Name4-ethenyl-2-ethyl-5-methyl-1,5-dihydropyrazole
PubChem CID166877228
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4-ethenyl-2-ethyl-5-methyl-1,5-dihydropyrazole
SMILESC=CC1=CN(CC)NC1C
InChIInChI=1S/C8H14N2/c1-4-8-6-10(5-2)9-7(8)3/h4,6-7,9H,1,5H2,2-3H3
InChIKeyGQAFPMICWJWWLW-UHFFFAOYSA-N
XLogP1.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-ethyl-5-methyl-1,5-dihydropyrazole?
The IUPAC name of 4-ethenyl-2-ethyl-5-methyl-1,5-dihydropyrazole (CID 166877228) is 4-ethenyl-2-ethyl-5-methyl-1,5-dihydropyrazole.
What is the SMILES notation for 4-ethenyl-2-ethyl-5-methyl-1,5-dihydropyrazole?
The canonical SMILES for 4-ethenyl-2-ethyl-5-methyl-1,5-dihydropyrazole is C=CC1=CN(CC)NC1C.
What is the InChIKey of 4-ethenyl-2-ethyl-5-methyl-1,5-dihydropyrazole?
The InChIKey is GQAFPMICWJWWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-8-6-10(5-2)9-7(8)3/h4,6-7,9H,1,5H2,2-3H3.
What are the key properties of 4-ethenyl-2-ethyl-5-methyl-1,5-dihydropyrazole?
4-ethenyl-2-ethyl-5-methyl-1,5-dihydropyrazole has a molecular weight of 138.21 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-ethyl-5-methyl-1,5-dihydropyrazole is sourced from PubChem (CID 166877228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).