1,3,5-trimethyl-4-[(3-methylazetidin-1-yl)methyl]pyrazole

C11H19N3 — CID 99802468

IUPAC1,3,5-trimethyl-4-[(3-methylazetidin-1-yl)methyl]pyrazole
SMILESCc1nn(C)c(C)c1CN1CC(C)C1
InChIInChI=1S/C11H19N3/c1-8-5-14(6-8)7-11-9(2)12-13(4)10(11)3/h8H,5-7H2,1-4H3
InChIKeyIUFINBIDVSGXFS-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.49
Rot. Bonds2

About 1,3,5-trimethyl-4-[(3-methylazetidin-1-yl)methyl]pyrazole

1,3,5-trimethyl-4-[(3-methylazetidin-1-yl)methyl]pyrazole (PubChem CID 99802468) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1,3,5-trimethyl-4-[(3-methylazetidin-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name1,3,5-trimethyl-4-[(3-methylazetidin-1-yl)methyl]pyrazole
PubChem CID99802468
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1,3,5-trimethyl-4-[(3-methylazetidin-1-yl)methyl]pyrazole
SMILESCc1nn(C)c(C)c1CN1CC(C)C1
InChIInChI=1S/C11H19N3/c1-8-5-14(6-8)7-11-9(2)12-13(4)10(11)3/h8H,5-7H2,1-4H3
InChIKeyIUFINBIDVSGXFS-UHFFFAOYSA-N
XLogP1.49
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3,5-trimethyl-4-[(3-methylazetidin-1-yl)methyl]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-4-[(3-methylazetidin-1-yl)methyl]pyrazole?
The IUPAC name of 1,3,5-trimethyl-4-[(3-methylazetidin-1-yl)methyl]pyrazole (CID 99802468) is 1,3,5-trimethyl-4-[(3-methylazetidin-1-yl)methyl]pyrazole.
What is the SMILES notation for 1,3,5-trimethyl-4-[(3-methylazetidin-1-yl)methyl]pyrazole?
The canonical SMILES for 1,3,5-trimethyl-4-[(3-methylazetidin-1-yl)methyl]pyrazole is Cc1nn(C)c(C)c1CN1CC(C)C1.
What is the InChIKey of 1,3,5-trimethyl-4-[(3-methylazetidin-1-yl)methyl]pyrazole?
The InChIKey is IUFINBIDVSGXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8-5-14(6-8)7-11-9(2)12-13(4)10(11)3/h8H,5-7H2,1-4H3.
What are the key properties of 1,3,5-trimethyl-4-[(3-methylazetidin-1-yl)methyl]pyrazole?
1,3,5-trimethyl-4-[(3-methylazetidin-1-yl)methyl]pyrazole has a molecular weight of 193.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-4-[(3-methylazetidin-1-yl)methyl]pyrazole is sourced from PubChem (CID 99802468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).