3-methyl-5-methylidene-1,2-dihydropyrazole

C5H8N2 — CID 58074490

IUPAC3-methyl-5-methylidene-1,2-dihydropyrazole
SMILESC=C1C=C(C)NN1
InChIInChI=1S/C5H8N2/c1-4-3-5(2)7-6-4/h3,6-7H,1H2,2H3
InChIKeyQTJYCGSSAOGHLB-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.51
Rot. Bonds

About 3-methyl-5-methylidene-1,2-dihydropyrazole

3-methyl-5-methylidene-1,2-dihydropyrazole (PubChem CID 58074490) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 3-methyl-5-methylidene-1,2-dihydropyrazole.

Molecular Properties

Compound Name3-methyl-5-methylidene-1,2-dihydropyrazole
PubChem CID58074490
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name3-methyl-5-methylidene-1,2-dihydropyrazole
SMILESC=C1C=C(C)NN1
InChIInChI=1S/C5H8N2/c1-4-3-5(2)7-6-4/h3,6-7H,1H2,2H3
InChIKeyQTJYCGSSAOGHLB-UHFFFAOYSA-N
XLogP0.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-methylidene-1,2-dihydropyrazole?
The IUPAC name of 3-methyl-5-methylidene-1,2-dihydropyrazole (CID 58074490) is 3-methyl-5-methylidene-1,2-dihydropyrazole.
What is the SMILES notation for 3-methyl-5-methylidene-1,2-dihydropyrazole?
The canonical SMILES for 3-methyl-5-methylidene-1,2-dihydropyrazole is C=C1C=C(C)NN1.
What is the InChIKey of 3-methyl-5-methylidene-1,2-dihydropyrazole?
The InChIKey is QTJYCGSSAOGHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-4-3-5(2)7-6-4/h3,6-7H,1H2,2H3.
What are the key properties of 3-methyl-5-methylidene-1,2-dihydropyrazole?
3-methyl-5-methylidene-1,2-dihydropyrazole has a molecular weight of 96.13 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylidene-1,2-dihydropyrazole is sourced from PubChem (CID 58074490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).