4-(azetidin-3-yloxymethyl)-1H-pyrazole

C7H11N3O — CID 130569411

IUPAC4-(azetidin-3-yloxymethyl)-1H-pyrazole
SMILESc1n[nH]cc1COC1CNC1
InChIInChI=1S/C7H11N3O/c1-6(2-10-9-1)5-11-7-3-8-4-7/h1-2,7-8H,3-5H2,(H,9,10)
InChIKeyYQCCTXGEEJSCQR-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.10
Rot. Bonds3

About 4-(azetidin-3-yloxymethyl)-1H-pyrazole

4-(azetidin-3-yloxymethyl)-1H-pyrazole (PubChem CID 130569411) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 4-(azetidin-3-yloxymethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(azetidin-3-yloxymethyl)-1H-pyrazole
PubChem CID130569411
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name4-(azetidin-3-yloxymethyl)-1H-pyrazole
SMILESc1n[nH]cc1COC1CNC1
InChIInChI=1S/C7H11N3O/c1-6(2-10-9-1)5-11-7-3-8-4-7/h1-2,7-8H,3-5H2,(H,9,10)
InChIKeyYQCCTXGEEJSCQR-UHFFFAOYSA-N
XLogP-0.10
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yloxymethyl)-1H-pyrazole?
The IUPAC name of 4-(azetidin-3-yloxymethyl)-1H-pyrazole (CID 130569411) is 4-(azetidin-3-yloxymethyl)-1H-pyrazole.
What is the SMILES notation for 4-(azetidin-3-yloxymethyl)-1H-pyrazole?
The canonical SMILES for 4-(azetidin-3-yloxymethyl)-1H-pyrazole is c1n[nH]cc1COC1CNC1.
What is the InChIKey of 4-(azetidin-3-yloxymethyl)-1H-pyrazole?
The InChIKey is YQCCTXGEEJSCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-6(2-10-9-1)5-11-7-3-8-4-7/h1-2,7-8H,3-5H2,(H,9,10).
What are the key properties of 4-(azetidin-3-yloxymethyl)-1H-pyrazole?
4-(azetidin-3-yloxymethyl)-1H-pyrazole has a molecular weight of 153.19 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yloxymethyl)-1H-pyrazole is sourced from PubChem (CID 130569411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).