1-(azetidin-3-yl)-3,4-dimethylpyrazole

C8H13N3 — CID 168889402

IUPAC1-(azetidin-3-yl)-3,4-dimethylpyrazole
SMILESCc1cn(C2CNC2)nc1C
InChIInChI=1S/C8H13N3/c1-6-5-11(10-7(6)2)8-3-9-4-8/h5,8-9H,3-4H2,1-2H3
InChIKeyMCKJRFKVWXPWCA-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.64
Rot. Bonds1

About 1-(azetidin-3-yl)-3,4-dimethylpyrazole

1-(azetidin-3-yl)-3,4-dimethylpyrazole (PubChem CID 168889402) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-3,4-dimethylpyrazole.

Molecular Properties

Compound Name1-(azetidin-3-yl)-3,4-dimethylpyrazole
PubChem CID168889402
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-(azetidin-3-yl)-3,4-dimethylpyrazole
SMILESCc1cn(C2CNC2)nc1C
InChIInChI=1S/C8H13N3/c1-6-5-11(10-7(6)2)8-3-9-4-8/h5,8-9H,3-4H2,1-2H3
InChIKeyMCKJRFKVWXPWCA-UHFFFAOYSA-N
XLogP0.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-3,4-dimethylpyrazole?
The IUPAC name of 1-(azetidin-3-yl)-3,4-dimethylpyrazole (CID 168889402) is 1-(azetidin-3-yl)-3,4-dimethylpyrazole.
What is the SMILES notation for 1-(azetidin-3-yl)-3,4-dimethylpyrazole?
The canonical SMILES for 1-(azetidin-3-yl)-3,4-dimethylpyrazole is Cc1cn(C2CNC2)nc1C.
What is the InChIKey of 1-(azetidin-3-yl)-3,4-dimethylpyrazole?
The InChIKey is MCKJRFKVWXPWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6-5-11(10-7(6)2)8-3-9-4-8/h5,8-9H,3-4H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-3,4-dimethylpyrazole?
1-(azetidin-3-yl)-3,4-dimethylpyrazole has a molecular weight of 151.21 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-3,4-dimethylpyrazole is sourced from PubChem (CID 168889402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).