1-cyclobutyl-4-methylpyrazole

C8H12N2 — CID 59225391

IUPAC1-cyclobutyl-4-methylpyrazole
SMILESCc1cnn(C2CCC2)c1
InChIInChI=1S/C8H12N2/c1-7-5-9-10(6-7)8-3-2-4-8/h5-6,8H,2-4H2,1H3
InChIKeyNOVMDUPFJUCLST-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.92
Rot. Bonds1

About 1-cyclobutyl-4-methylpyrazole

1-cyclobutyl-4-methylpyrazole (PubChem CID 59225391) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-cyclobutyl-4-methylpyrazole.

Molecular Properties

Compound Name1-cyclobutyl-4-methylpyrazole
PubChem CID59225391
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-cyclobutyl-4-methylpyrazole
SMILESCc1cnn(C2CCC2)c1
InChIInChI=1S/C8H12N2/c1-7-5-9-10(6-7)8-3-2-4-8/h5-6,8H,2-4H2,1H3
InChIKeyNOVMDUPFJUCLST-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-methylpyrazole?
The IUPAC name of 1-cyclobutyl-4-methylpyrazole (CID 59225391) is 1-cyclobutyl-4-methylpyrazole.
What is the SMILES notation for 1-cyclobutyl-4-methylpyrazole?
The canonical SMILES for 1-cyclobutyl-4-methylpyrazole is Cc1cnn(C2CCC2)c1.
What is the InChIKey of 1-cyclobutyl-4-methylpyrazole?
The InChIKey is NOVMDUPFJUCLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-5-9-10(6-7)8-3-2-4-8/h5-6,8H,2-4H2,1H3.
What are the key properties of 1-cyclobutyl-4-methylpyrazole?
1-cyclobutyl-4-methylpyrazole has a molecular weight of 136.20 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-methylpyrazole is sourced from PubChem (CID 59225391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).