4-(1H-inden-1-yl)pyrazol-3-one

C12H8N2O — CID 139827844

IUPAC4-(1H-inden-1-yl)pyrazol-3-one
SMILESO=C1N=NC=C1C1C=Cc2ccccc21
InChIInChI=1S/C12H8N2O/c15-12-11(7-13-14-12)10-6-5-8-3-1-2-4-9(8)10/h1-7,10H
InChIKeyYQUAVGDZXYCCRW-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.67
Rot. Bonds1

About 4-(1H-inden-1-yl)pyrazol-3-one

4-(1H-inden-1-yl)pyrazol-3-one (PubChem CID 139827844) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-(1H-inden-1-yl)pyrazol-3-one.

Molecular Properties

Compound Name4-(1H-inden-1-yl)pyrazol-3-one
PubChem CID139827844
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name4-(1H-inden-1-yl)pyrazol-3-one
SMILESO=C1N=NC=C1C1C=Cc2ccccc21
InChIInChI=1S/C12H8N2O/c15-12-11(7-13-14-12)10-6-5-8-3-1-2-4-9(8)10/h1-7,10H
InChIKeyYQUAVGDZXYCCRW-UHFFFAOYSA-N
XLogP2.67
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-inden-1-yl)pyrazol-3-one?
The IUPAC name of 4-(1H-inden-1-yl)pyrazol-3-one (CID 139827844) is 4-(1H-inden-1-yl)pyrazol-3-one.
What is the SMILES notation for 4-(1H-inden-1-yl)pyrazol-3-one?
The canonical SMILES for 4-(1H-inden-1-yl)pyrazol-3-one is O=C1N=NC=C1C1C=Cc2ccccc21.
What is the InChIKey of 4-(1H-inden-1-yl)pyrazol-3-one?
The InChIKey is YQUAVGDZXYCCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c15-12-11(7-13-14-12)10-6-5-8-3-1-2-4-9(8)10/h1-7,10H.
What are the key properties of 4-(1H-inden-1-yl)pyrazol-3-one?
4-(1H-inden-1-yl)pyrazol-3-one has a molecular weight of 196.21 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-inden-1-yl)pyrazol-3-one is sourced from PubChem (CID 139827844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).