5-(5-methylfuran-2-yl)-1H-pyrazole

C8H8N2O — CID 39734333

IUPAC5-(5-methylfuran-2-yl)-1H-pyrazole
SMILESCc1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C8H8N2O/c1-6-2-3-8(11-6)7-4-5-9-10-7/h2-5H,1H3,(H,9,10)
InChIKeyZIJASYNQNLPMPY-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.98
Rot. Bonds1

About 5-(5-methylfuran-2-yl)-1H-pyrazole

5-(5-methylfuran-2-yl)-1H-pyrazole (PubChem CID 39734333) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-1H-pyrazole
PubChem CID39734333
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name5-(5-methylfuran-2-yl)-1H-pyrazole
SMILESCc1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C8H8N2O/c1-6-2-3-8(11-6)7-4-5-9-10-7/h2-5H,1H3,(H,9,10)
InChIKeyZIJASYNQNLPMPY-UHFFFAOYSA-N
XLogP1.98
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-1H-pyrazole?
The IUPAC name of 5-(5-methylfuran-2-yl)-1H-pyrazole (CID 39734333) is 5-(5-methylfuran-2-yl)-1H-pyrazole.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-1H-pyrazole?
The canonical SMILES for 5-(5-methylfuran-2-yl)-1H-pyrazole is Cc1ccc(-c2ccn[nH]2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-1H-pyrazole?
The InChIKey is ZIJASYNQNLPMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-6-2-3-8(11-6)7-4-5-9-10-7/h2-5H,1H3,(H,9,10).
What are the key properties of 5-(5-methylfuran-2-yl)-1H-pyrazole?
5-(5-methylfuran-2-yl)-1H-pyrazole has a molecular weight of 148.16 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-1H-pyrazole is sourced from PubChem (CID 39734333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).