4,5-di(cyclopenta-1,3-dien-1-yl)pyrazol-3-one

C13H10N2O — CID 175447630

IUPAC4,5-di(cyclopenta-1,3-dien-1-yl)pyrazol-3-one
SMILESO=C1N=NC(C2=CC=CC2)=C1C1=CC=CC1
InChIInChI=1S/C13H10N2O/c16-13-11(9-5-1-2-6-9)12(14-15-13)10-7-3-4-8-10/h1-5,7H,6,8H2
InChIKeyXYQSLVOHYMIOLA-UHFFFAOYSA-N
MW210.24 g/mol
LogP3.01
Rot. Bonds2

About 4,5-di(cyclopenta-1,3-dien-1-yl)pyrazol-3-one

4,5-di(cyclopenta-1,3-dien-1-yl)pyrazol-3-one (PubChem CID 175447630) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 4,5-di(cyclopenta-1,3-dien-1-yl)pyrazol-3-one.

Molecular Properties

Compound Name4,5-di(cyclopenta-1,3-dien-1-yl)pyrazol-3-one
PubChem CID175447630
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name4,5-di(cyclopenta-1,3-dien-1-yl)pyrazol-3-one
SMILESO=C1N=NC(C2=CC=CC2)=C1C1=CC=CC1
InChIInChI=1S/C13H10N2O/c16-13-11(9-5-1-2-6-9)12(14-15-13)10-7-3-4-8-10/h1-5,7H,6,8H2
InChIKeyXYQSLVOHYMIOLA-UHFFFAOYSA-N
XLogP3.01
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-di(cyclopenta-1,3-dien-1-yl)pyrazol-3-one?
The IUPAC name of 4,5-di(cyclopenta-1,3-dien-1-yl)pyrazol-3-one (CID 175447630) is 4,5-di(cyclopenta-1,3-dien-1-yl)pyrazol-3-one.
What is the SMILES notation for 4,5-di(cyclopenta-1,3-dien-1-yl)pyrazol-3-one?
The canonical SMILES for 4,5-di(cyclopenta-1,3-dien-1-yl)pyrazol-3-one is O=C1N=NC(C2=CC=CC2)=C1C1=CC=CC1.
What is the InChIKey of 4,5-di(cyclopenta-1,3-dien-1-yl)pyrazol-3-one?
The InChIKey is XYQSLVOHYMIOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c16-13-11(9-5-1-2-6-9)12(14-15-13)10-7-3-4-8-10/h1-5,7H,6,8H2.
What are the key properties of 4,5-di(cyclopenta-1,3-dien-1-yl)pyrazol-3-one?
4,5-di(cyclopenta-1,3-dien-1-yl)pyrazol-3-one has a molecular weight of 210.24 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(cyclopenta-1,3-dien-1-yl)pyrazol-3-one is sourced from PubChem (CID 175447630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).