5-(1H-indol-2-yl)pyrazol-3-one

C11H7N3O — CID 67742165

IUPAC5-(1H-indol-2-yl)pyrazol-3-one
SMILESO=C1C=C(c2cc3ccccc3[nH]2)N=N1
InChIInChI=1S/C11H7N3O/c15-11-6-10(13-14-11)9-5-7-3-1-2-4-8(7)12-9/h1-6,12H
InChIKeyMBOBWQPDHYAIJT-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.50
Rot. Bonds1

About 5-(1H-indol-2-yl)pyrazol-3-one

5-(1H-indol-2-yl)pyrazol-3-one (PubChem CID 67742165) has the molecular formula C11H7N3O and a molecular weight of 197.20 g/mol. Its IUPAC name is 5-(1H-indol-2-yl)pyrazol-3-one.

Molecular Properties

Compound Name5-(1H-indol-2-yl)pyrazol-3-one
PubChem CID67742165
Molecular FormulaC11H7N3O
Molecular Weight197.20 g/mol
Exact Mass197.06
IUPAC Name5-(1H-indol-2-yl)pyrazol-3-one
SMILESO=C1C=C(c2cc3ccccc3[nH]2)N=N1
InChIInChI=1S/C11H7N3O/c15-11-6-10(13-14-11)9-5-7-3-1-2-4-8(7)12-9/h1-6,12H
InChIKeyMBOBWQPDHYAIJT-UHFFFAOYSA-N
XLogP2.50
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-2-yl)pyrazol-3-one?
The IUPAC name of 5-(1H-indol-2-yl)pyrazol-3-one (CID 67742165) is 5-(1H-indol-2-yl)pyrazol-3-one.
What is the SMILES notation for 5-(1H-indol-2-yl)pyrazol-3-one?
The canonical SMILES for 5-(1H-indol-2-yl)pyrazol-3-one is O=C1C=C(c2cc3ccccc3[nH]2)N=N1.
What is the InChIKey of 5-(1H-indol-2-yl)pyrazol-3-one?
The InChIKey is MBOBWQPDHYAIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O/c15-11-6-10(13-14-11)9-5-7-3-1-2-4-8(7)12-9/h1-6,12H.
What are the key properties of 5-(1H-indol-2-yl)pyrazol-3-one?
5-(1H-indol-2-yl)pyrazol-3-one has a molecular weight of 197.20 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-2-yl)pyrazol-3-one is sourced from PubChem (CID 67742165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).