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

C7H6N2O — CID 818920

IUPAC5-(furan-2-yl)-1H-pyrazole
SMILESc1coc(-c2ccn[nH]2)c1
InChIInChI=1S/C7H6N2O/c1-2-7(10-5-1)6-3-4-8-9-6/h1-5H,(H,8,9)
InChIKeyXHTWJTDNZKWQON-UHFFFAOYSA-N
MW134.14 g/mol
LogP1.67
Rot. Bonds1

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

5-(furan-2-yl)-1H-pyrazole (PubChem CID 818920) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 5-(furan-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(furan-2-yl)-1H-pyrazole
PubChem CID818920
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name5-(furan-2-yl)-1H-pyrazole
SMILESc1coc(-c2ccn[nH]2)c1
InChIInChI=1S/C7H6N2O/c1-2-7(10-5-1)6-3-4-8-9-6/h1-5H,(H,8,9)
InChIKeyXHTWJTDNZKWQON-UHFFFAOYSA-N
XLogP1.67
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1H-pyrazole?
The IUPAC name of 5-(furan-2-yl)-1H-pyrazole (CID 818920) is 5-(furan-2-yl)-1H-pyrazole.
What is the SMILES notation for 5-(furan-2-yl)-1H-pyrazole?
The canonical SMILES for 5-(furan-2-yl)-1H-pyrazole is c1coc(-c2ccn[nH]2)c1.
What is the InChIKey of 5-(furan-2-yl)-1H-pyrazole?
The InChIKey is XHTWJTDNZKWQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c1-2-7(10-5-1)6-3-4-8-9-6/h1-5H,(H,8,9).
What are the key properties of 5-(furan-2-yl)-1H-pyrazole?
5-(furan-2-yl)-1H-pyrazole has a molecular weight of 134.14 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1H-pyrazole is sourced from PubChem (CID 818920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).