5-(1,3-benzodioxol-5-yl)-1H-pyrazole

C10H8N2O2 — CID 1477766

IUPAC5-(1,3-benzodioxol-5-yl)-1H-pyrazole
SMILESc1cc(-c2ccc3c(c2)OCO3)[nH]n1
InChIInChI=1S/C10H8N2O2/c1-2-9-10(14-6-13-9)5-7(1)8-3-4-11-12-8/h1-5H,6H2,(H,11,12)
InChIKeyLOPAFWMOCZGHFX-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.81
Rot. Bonds1

About 5-(1,3-benzodioxol-5-yl)-1H-pyrazole

5-(1,3-benzodioxol-5-yl)-1H-pyrazole (PubChem CID 1477766) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-1H-pyrazole
PubChem CID1477766
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name5-(1,3-benzodioxol-5-yl)-1H-pyrazole
SMILESc1cc(-c2ccc3c(c2)OCO3)[nH]n1
InChIInChI=1S/C10H8N2O2/c1-2-9-10(14-6-13-9)5-7(1)8-3-4-11-12-8/h1-5H,6H2,(H,11,12)
InChIKeyLOPAFWMOCZGHFX-UHFFFAOYSA-N
XLogP1.81
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-1H-pyrazole?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-1H-pyrazole (CID 1477766) is 5-(1,3-benzodioxol-5-yl)-1H-pyrazole.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-1H-pyrazole?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-1H-pyrazole is c1cc(-c2ccc3c(c2)OCO3)[nH]n1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-1H-pyrazole?
The InChIKey is LOPAFWMOCZGHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-2-9-10(14-6-13-9)5-7(1)8-3-4-11-12-8/h1-5H,6H2,(H,11,12).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-1H-pyrazole?
5-(1,3-benzodioxol-5-yl)-1H-pyrazole has a molecular weight of 188.19 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-1H-pyrazole is sourced from PubChem (CID 1477766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).