3,4-dimethyl-5-methylidene-3,4-dihydropyrazole

C6H10N2 — CID 20716946

IUPAC3,4-dimethyl-5-methylidene-3,4-dihydropyrazole
SMILESC=C1N=NC(C)C1C
InChIInChI=1S/C6H10N2/c1-4-5(2)7-8-6(4)3/h4,6H,2H2,1,3H3
InChIKeyCVRVJXJCGGNPLZ-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.99
Rot. Bonds

About 3,4-dimethyl-5-methylidene-3,4-dihydropyrazole

3,4-dimethyl-5-methylidene-3,4-dihydropyrazole (PubChem CID 20716946) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3,4-dimethyl-5-methylidene-3,4-dihydropyrazole.

Molecular Properties

Compound Name3,4-dimethyl-5-methylidene-3,4-dihydropyrazole
PubChem CID20716946
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3,4-dimethyl-5-methylidene-3,4-dihydropyrazole
SMILESC=C1N=NC(C)C1C
InChIInChI=1S/C6H10N2/c1-4-5(2)7-8-6(4)3/h4,6H,2H2,1,3H3
InChIKeyCVRVJXJCGGNPLZ-UHFFFAOYSA-N
XLogP1.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-methylidene-3,4-dihydropyrazole?
The IUPAC name of 3,4-dimethyl-5-methylidene-3,4-dihydropyrazole (CID 20716946) is 3,4-dimethyl-5-methylidene-3,4-dihydropyrazole.
What is the SMILES notation for 3,4-dimethyl-5-methylidene-3,4-dihydropyrazole?
The canonical SMILES for 3,4-dimethyl-5-methylidene-3,4-dihydropyrazole is C=C1N=NC(C)C1C.
What is the InChIKey of 3,4-dimethyl-5-methylidene-3,4-dihydropyrazole?
The InChIKey is CVRVJXJCGGNPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-4-5(2)7-8-6(4)3/h4,6H,2H2,1,3H3.
What are the key properties of 3,4-dimethyl-5-methylidene-3,4-dihydropyrazole?
3,4-dimethyl-5-methylidene-3,4-dihydropyrazole has a molecular weight of 110.16 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-methylidene-3,4-dihydropyrazole is sourced from PubChem (CID 20716946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).