3-cyclobutyl-1-methylpyrazole

C8H12N2 — CID 23300057

IUPAC3-cyclobutyl-1-methylpyrazole
SMILESCn1ccc(C2CCC2)n1
InChIInChI=1S/C8H12N2/c1-10-6-5-8(9-10)7-3-2-4-7/h5-7H,2-4H2,1H3
InChIKeyGKXVBQFQJYSRHR-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.69
Rot. Bonds1

About 3-cyclobutyl-1-methylpyrazole

3-cyclobutyl-1-methylpyrazole (PubChem CID 23300057) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3-cyclobutyl-1-methylpyrazole.

Molecular Properties

Compound Name3-cyclobutyl-1-methylpyrazole
PubChem CID23300057
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3-cyclobutyl-1-methylpyrazole
SMILESCn1ccc(C2CCC2)n1
InChIInChI=1S/C8H12N2/c1-10-6-5-8(9-10)7-3-2-4-7/h5-7H,2-4H2,1H3
InChIKeyGKXVBQFQJYSRHR-UHFFFAOYSA-N
XLogP1.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-methylpyrazole?
The IUPAC name of 3-cyclobutyl-1-methylpyrazole (CID 23300057) is 3-cyclobutyl-1-methylpyrazole.
What is the SMILES notation for 3-cyclobutyl-1-methylpyrazole?
The canonical SMILES for 3-cyclobutyl-1-methylpyrazole is Cn1ccc(C2CCC2)n1.
What is the InChIKey of 3-cyclobutyl-1-methylpyrazole?
The InChIKey is GKXVBQFQJYSRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-10-6-5-8(9-10)7-3-2-4-7/h5-7H,2-4H2,1H3.
What are the key properties of 3-cyclobutyl-1-methylpyrazole?
3-cyclobutyl-1-methylpyrazole has a molecular weight of 136.20 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-methylpyrazole is sourced from PubChem (CID 23300057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).