1-(azetidin-3-yl)-5-methylpyrazole

C7H11N3 — CID 84731114

IUPAC1-(azetidin-3-yl)-5-methylpyrazole
SMILESCc1ccnn1C1CNC1
InChIInChI=1S/C7H11N3/c1-6-2-3-9-10(6)7-4-8-5-7/h2-3,7-8H,4-5H2,1H3
InChIKeyYTGQQZBOAMZQEF-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.34
Rot. Bonds1

About 1-(azetidin-3-yl)-5-methylpyrazole

1-(azetidin-3-yl)-5-methylpyrazole (PubChem CID 84731114) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-5-methylpyrazole.

Molecular Properties

Compound Name1-(azetidin-3-yl)-5-methylpyrazole
PubChem CID84731114
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-(azetidin-3-yl)-5-methylpyrazole
SMILESCc1ccnn1C1CNC1
InChIInChI=1S/C7H11N3/c1-6-2-3-9-10(6)7-4-8-5-7/h2-3,7-8H,4-5H2,1H3
InChIKeyYTGQQZBOAMZQEF-UHFFFAOYSA-N
XLogP0.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.34
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)-5-methylpyrazole?
The IUPAC name of 1-(azetidin-3-yl)-5-methylpyrazole (CID 84731114) is 1-(azetidin-3-yl)-5-methylpyrazole.
What is the SMILES notation for 1-(azetidin-3-yl)-5-methylpyrazole?
The canonical SMILES for 1-(azetidin-3-yl)-5-methylpyrazole is Cc1ccnn1C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-5-methylpyrazole?
The InChIKey is YTGQQZBOAMZQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-6-2-3-9-10(6)7-4-8-5-7/h2-3,7-8H,4-5H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-5-methylpyrazole?
1-(azetidin-3-yl)-5-methylpyrazole has a molecular weight of 137.19 g/mol, XLogP of 0.34, 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)-5-methylpyrazole is sourced from PubChem (CID 84731114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).