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

C14H17N3O — CID 141430287

IUPAC5-(azetidin-3-yloxymethyl)-3-(4-methylphenyl)-1H-pyrazole
SMILESCc1ccc(-c2cc(COC3CNC3)[nH]n2)cc1
InChIInChI=1S/C14H17N3O/c1-10-2-4-11(5-3-10)14-6-12(16-17-14)9-18-13-7-15-8-13/h2-6,13,15H,7-9H2,1H3,(H,16,17)
InChIKeyYJUSOUHLWJCUME-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.87
Rot. Bonds4

About 5-(azetidin-3-yloxymethyl)-3-(4-methylphenyl)-1H-pyrazole

5-(azetidin-3-yloxymethyl)-3-(4-methylphenyl)-1H-pyrazole (PubChem CID 141430287) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-(azetidin-3-yloxymethyl)-3-(4-methylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(azetidin-3-yloxymethyl)-3-(4-methylphenyl)-1H-pyrazole
PubChem CID141430287
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-(azetidin-3-yloxymethyl)-3-(4-methylphenyl)-1H-pyrazole
SMILESCc1ccc(-c2cc(COC3CNC3)[nH]n2)cc1
InChIInChI=1S/C14H17N3O/c1-10-2-4-11(5-3-10)14-6-12(16-17-14)9-18-13-7-15-8-13/h2-6,13,15H,7-9H2,1H3,(H,16,17)
InChIKeyYJUSOUHLWJCUME-UHFFFAOYSA-N
XLogP1.87
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yloxymethyl)-3-(4-methylphenyl)-1H-pyrazole?
The IUPAC name of 5-(azetidin-3-yloxymethyl)-3-(4-methylphenyl)-1H-pyrazole (CID 141430287) is 5-(azetidin-3-yloxymethyl)-3-(4-methylphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(azetidin-3-yloxymethyl)-3-(4-methylphenyl)-1H-pyrazole?
The canonical SMILES for 5-(azetidin-3-yloxymethyl)-3-(4-methylphenyl)-1H-pyrazole is Cc1ccc(-c2cc(COC3CNC3)[nH]n2)cc1.
What is the InChIKey of 5-(azetidin-3-yloxymethyl)-3-(4-methylphenyl)-1H-pyrazole?
The InChIKey is YJUSOUHLWJCUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-2-4-11(5-3-10)14-6-12(16-17-14)9-18-13-7-15-8-13/h2-6,13,15H,7-9H2,1H3,(H,16,17).
What are the key properties of 5-(azetidin-3-yloxymethyl)-3-(4-methylphenyl)-1H-pyrazole?
5-(azetidin-3-yloxymethyl)-3-(4-methylphenyl)-1H-pyrazole has a molecular weight of 243.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yloxymethyl)-3-(4-methylphenyl)-1H-pyrazole is sourced from PubChem (CID 141430287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).