5-(furan-2-yl)-1,3-dimethylpyrazole

C9H10N2O — CID 59635617

IUPAC5-(furan-2-yl)-1,3-dimethylpyrazole
SMILESCc1cc(-c2ccco2)n(C)n1
InChIInChI=1S/C9H10N2O/c1-7-6-8(11(2)10-7)9-4-3-5-12-9/h3-6H,1-2H3
InChIKeyLWHINEOEEHADID-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.99
Rot. Bonds1

About 5-(furan-2-yl)-1,3-dimethylpyrazole

5-(furan-2-yl)-1,3-dimethylpyrazole (PubChem CID 59635617) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 5-(furan-2-yl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-(furan-2-yl)-1,3-dimethylpyrazole
PubChem CID59635617
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name5-(furan-2-yl)-1,3-dimethylpyrazole
SMILESCc1cc(-c2ccco2)n(C)n1
InChIInChI=1S/C9H10N2O/c1-7-6-8(11(2)10-7)9-4-3-5-12-9/h3-6H,1-2H3
InChIKeyLWHINEOEEHADID-UHFFFAOYSA-N
XLogP1.99
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1,3-dimethylpyrazole?
The IUPAC name of 5-(furan-2-yl)-1,3-dimethylpyrazole (CID 59635617) is 5-(furan-2-yl)-1,3-dimethylpyrazole.
What is the SMILES notation for 5-(furan-2-yl)-1,3-dimethylpyrazole?
The canonical SMILES for 5-(furan-2-yl)-1,3-dimethylpyrazole is Cc1cc(-c2ccco2)n(C)n1.
What is the InChIKey of 5-(furan-2-yl)-1,3-dimethylpyrazole?
The InChIKey is LWHINEOEEHADID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-7-6-8(11(2)10-7)9-4-3-5-12-9/h3-6H,1-2H3.
What are the key properties of 5-(furan-2-yl)-1,3-dimethylpyrazole?
5-(furan-2-yl)-1,3-dimethylpyrazole has a molecular weight of 162.19 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1,3-dimethylpyrazole is sourced from PubChem (CID 59635617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).