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

C8H13N3 — CID 90070858

IUPAC1-methyl-3-(1-methylazetidin-3-yl)pyrazole
SMILESCN1CC(c2ccn(C)n2)C1
InChIInChI=1S/C8H13N3/c1-10-5-7(6-10)8-3-4-11(2)9-8/h3-4,7H,5-6H2,1-2H3
InChIKeyOYMHNSIOYAEZBC-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.45
Rot. Bonds1

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

1-methyl-3-(1-methylazetidin-3-yl)pyrazole (PubChem CID 90070858) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-methyl-3-(1-methylazetidin-3-yl)pyrazole.

Molecular Properties

Compound Name1-methyl-3-(1-methylazetidin-3-yl)pyrazole
PubChem CID90070858
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-methyl-3-(1-methylazetidin-3-yl)pyrazole
SMILESCN1CC(c2ccn(C)n2)C1
InChIInChI=1S/C8H13N3/c1-10-5-7(6-10)8-3-4-11(2)9-8/h3-4,7H,5-6H2,1-2H3
InChIKeyOYMHNSIOYAEZBC-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylazetidin-3-yl)pyrazole?
The IUPAC name of 1-methyl-3-(1-methylazetidin-3-yl)pyrazole (CID 90070858) is 1-methyl-3-(1-methylazetidin-3-yl)pyrazole.
What is the SMILES notation for 1-methyl-3-(1-methylazetidin-3-yl)pyrazole?
The canonical SMILES for 1-methyl-3-(1-methylazetidin-3-yl)pyrazole is CN1CC(c2ccn(C)n2)C1.
What is the InChIKey of 1-methyl-3-(1-methylazetidin-3-yl)pyrazole?
The InChIKey is OYMHNSIOYAEZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-10-5-7(6-10)8-3-4-11(2)9-8/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1-methyl-3-(1-methylazetidin-3-yl)pyrazole?
1-methyl-3-(1-methylazetidin-3-yl)pyrazole has a molecular weight of 151.21 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylazetidin-3-yl)pyrazole is sourced from PubChem (CID 90070858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).