5-nitroso-2-(1H-pyrazol-5-yl)isoquinolin-1-one

C12H8N4O2 — CID 89125184

IUPAC5-nitroso-2-(1H-pyrazol-5-yl)isoquinolin-1-one
SMILESO=Nc1cccc2c(=O)n(-c3ccn[nH]3)ccc12
InChIInChI=1S/C12H8N4O2/c17-12-9-2-1-3-10(15-18)8(9)5-7-16(12)11-4-6-13-14-11/h1-7H,(H,13,14)
InChIKeyHDIVOXNFOLHXMF-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.11
Rot. Bonds2

About 5-nitroso-2-(1H-pyrazol-5-yl)isoquinolin-1-one

5-nitroso-2-(1H-pyrazol-5-yl)isoquinolin-1-one (PubChem CID 89125184) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 5-nitroso-2-(1H-pyrazol-5-yl)isoquinolin-1-one.

Molecular Properties

Compound Name5-nitroso-2-(1H-pyrazol-5-yl)isoquinolin-1-one
PubChem CID89125184
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name5-nitroso-2-(1H-pyrazol-5-yl)isoquinolin-1-one
SMILESO=Nc1cccc2c(=O)n(-c3ccn[nH]3)ccc12
InChIInChI=1S/C12H8N4O2/c17-12-9-2-1-3-10(15-18)8(9)5-7-16(12)11-4-6-13-14-11/h1-7H,(H,13,14)
InChIKeyHDIVOXNFOLHXMF-UHFFFAOYSA-N
XLogP2.11
TPSA80.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-nitroso-2-(1H-pyrazol-5-yl)isoquinolin-1-one?
The IUPAC name of 5-nitroso-2-(1H-pyrazol-5-yl)isoquinolin-1-one (CID 89125184) is 5-nitroso-2-(1H-pyrazol-5-yl)isoquinolin-1-one.
What is the SMILES notation for 5-nitroso-2-(1H-pyrazol-5-yl)isoquinolin-1-one?
The canonical SMILES for 5-nitroso-2-(1H-pyrazol-5-yl)isoquinolin-1-one is O=Nc1cccc2c(=O)n(-c3ccn[nH]3)ccc12.
What is the InChIKey of 5-nitroso-2-(1H-pyrazol-5-yl)isoquinolin-1-one?
The InChIKey is HDIVOXNFOLHXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c17-12-9-2-1-3-10(15-18)8(9)5-7-16(12)11-4-6-13-14-11/h1-7H,(H,13,14).
What are the key properties of 5-nitroso-2-(1H-pyrazol-5-yl)isoquinolin-1-one?
5-nitroso-2-(1H-pyrazol-5-yl)isoquinolin-1-one has a molecular weight of 240.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitroso-2-(1H-pyrazol-5-yl)isoquinolin-1-one is sourced from PubChem (CID 89125184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).