4-methyl-1-(1-methylazetidin-3-yl)pyrazole

C8H13N3 — CID 84731253

IUPAC4-methyl-1-(1-methylazetidin-3-yl)pyrazole
SMILESCc1cnn(C2CN(C)C2)c1
InChIInChI=1S/C8H13N3/c1-7-3-9-11(4-7)8-5-10(2)6-8/h3-4,8H,5-6H2,1-2H3
InChIKeyHUIWZPLJKHVTLO-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.68
Rot. Bonds1

About 4-methyl-1-(1-methylazetidin-3-yl)pyrazole

4-methyl-1-(1-methylazetidin-3-yl)pyrazole (PubChem CID 84731253) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-methyl-1-(1-methylazetidin-3-yl)pyrazole.

Molecular Properties

Compound Name4-methyl-1-(1-methylazetidin-3-yl)pyrazole
PubChem CID84731253
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name4-methyl-1-(1-methylazetidin-3-yl)pyrazole
SMILESCc1cnn(C2CN(C)C2)c1
InChIInChI=1S/C8H13N3/c1-7-3-9-11(4-7)8-5-10(2)6-8/h3-4,8H,5-6H2,1-2H3
InChIKeyHUIWZPLJKHVTLO-UHFFFAOYSA-N
XLogP0.68
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-methylazetidin-3-yl)pyrazole?
The IUPAC name of 4-methyl-1-(1-methylazetidin-3-yl)pyrazole (CID 84731253) is 4-methyl-1-(1-methylazetidin-3-yl)pyrazole.
What is the SMILES notation for 4-methyl-1-(1-methylazetidin-3-yl)pyrazole?
The canonical SMILES for 4-methyl-1-(1-methylazetidin-3-yl)pyrazole is Cc1cnn(C2CN(C)C2)c1.
What is the InChIKey of 4-methyl-1-(1-methylazetidin-3-yl)pyrazole?
The InChIKey is HUIWZPLJKHVTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-7-3-9-11(4-7)8-5-10(2)6-8/h3-4,8H,5-6H2,1-2H3.
What are the key properties of 4-methyl-1-(1-methylazetidin-3-yl)pyrazole?
4-methyl-1-(1-methylazetidin-3-yl)pyrazole has a molecular weight of 151.21 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-methylazetidin-3-yl)pyrazole is sourced from PubChem (CID 84731253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).