5-(furan-2-yl)-1H-pyrazole-3-carbonitrile

C8H5N3O — CID 39235535

IUPAC5-(furan-2-yl)-1H-pyrazole-3-carbonitrile
SMILESN#Cc1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C8H5N3O/c9-5-6-4-7(11-10-6)8-2-1-3-12-8/h1-4H,(H,10,11)
InChIKeyHVMKTWFJQBHWJA-UHFFFAOYSA-N
MW159.15 g/mol
LogP1.54
Rot. Bonds1

About 5-(furan-2-yl)-1H-pyrazole-3-carbonitrile

5-(furan-2-yl)-1H-pyrazole-3-carbonitrile (PubChem CID 39235535) has the molecular formula C8H5N3O and a molecular weight of 159.15 g/mol. Its IUPAC name is 5-(furan-2-yl)-1H-pyrazole-3-carbonitrile.

Molecular Properties

Compound Name5-(furan-2-yl)-1H-pyrazole-3-carbonitrile
PubChem CID39235535
Molecular FormulaC8H5N3O
Molecular Weight159.15 g/mol
Exact Mass159.04
IUPAC Name5-(furan-2-yl)-1H-pyrazole-3-carbonitrile
SMILESN#Cc1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C8H5N3O/c9-5-6-4-7(11-10-6)8-2-1-3-12-8/h1-4H,(H,10,11)
InChIKeyHVMKTWFJQBHWJA-UHFFFAOYSA-N
XLogP1.54
TPSA65.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1H-pyrazole-3-carbonitrile?
The IUPAC name of 5-(furan-2-yl)-1H-pyrazole-3-carbonitrile (CID 39235535) is 5-(furan-2-yl)-1H-pyrazole-3-carbonitrile.
What is the SMILES notation for 5-(furan-2-yl)-1H-pyrazole-3-carbonitrile?
The canonical SMILES for 5-(furan-2-yl)-1H-pyrazole-3-carbonitrile is N#Cc1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-1H-pyrazole-3-carbonitrile?
The InChIKey is HVMKTWFJQBHWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O/c9-5-6-4-7(11-10-6)8-2-1-3-12-8/h1-4H,(H,10,11).
What are the key properties of 5-(furan-2-yl)-1H-pyrazole-3-carbonitrile?
5-(furan-2-yl)-1H-pyrazole-3-carbonitrile has a molecular weight of 159.15 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1H-pyrazole-3-carbonitrile is sourced from PubChem (CID 39235535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).