5-(furan-3-yl)-4,5-dihydro-1H-pyrazole

C7H8N2O — CID 59339389

IUPAC5-(furan-3-yl)-4,5-dihydro-1H-pyrazole
SMILESC1=NNC(c2ccoc2)C1
InChIInChI=1S/C7H8N2O/c1-3-8-9-7(1)6-2-4-10-5-6/h2-5,7,9H,1H2
InChIKeyPHAMBRRBNHMIAL-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.30
Rot. Bonds1

About 5-(furan-3-yl)-4,5-dihydro-1H-pyrazole

5-(furan-3-yl)-4,5-dihydro-1H-pyrazole (PubChem CID 59339389) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 5-(furan-3-yl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-(furan-3-yl)-4,5-dihydro-1H-pyrazole
PubChem CID59339389
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name5-(furan-3-yl)-4,5-dihydro-1H-pyrazole
SMILESC1=NNC(c2ccoc2)C1
InChIInChI=1S/C7H8N2O/c1-3-8-9-7(1)6-2-4-10-5-6/h2-5,7,9H,1H2
InChIKeyPHAMBRRBNHMIAL-UHFFFAOYSA-N
XLogP1.30
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-(furan-3-yl)-4,5-dihydro-1H-pyrazole (CID 59339389) is 5-(furan-3-yl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-(furan-3-yl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-(furan-3-yl)-4,5-dihydro-1H-pyrazole is C1=NNC(c2ccoc2)C1.
What is the InChIKey of 5-(furan-3-yl)-4,5-dihydro-1H-pyrazole?
The InChIKey is PHAMBRRBNHMIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-3-8-9-7(1)6-2-4-10-5-6/h2-5,7,9H,1H2.
What are the key properties of 5-(furan-3-yl)-4,5-dihydro-1H-pyrazole?
5-(furan-3-yl)-4,5-dihydro-1H-pyrazole has a molecular weight of 136.15 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 59339389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).