4-nitroso-5-(1H-pyrazol-4-yl)-1H-pyrazole

C6H5N5O — CID 89063481

IUPAC4-nitroso-5-(1H-pyrazol-4-yl)-1H-pyrazole
SMILESO=Nc1cn[nH]c1-c1cn[nH]c1
InChIInChI=1S/C6H5N5O/c12-11-5-3-9-10-6(5)4-1-7-8-2-4/h1-3H,(H,7,8)(H,9,10)
InChIKeySEDWUYNKWWNOHS-UHFFFAOYSA-N
MW163.14 g/mol
LogP1.20
Rot. Bonds2

About 4-nitroso-5-(1H-pyrazol-4-yl)-1H-pyrazole

4-nitroso-5-(1H-pyrazol-4-yl)-1H-pyrazole (PubChem CID 89063481) has the molecular formula C6H5N5O and a molecular weight of 163.14 g/mol. Its IUPAC name is 4-nitroso-5-(1H-pyrazol-4-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-nitroso-5-(1H-pyrazol-4-yl)-1H-pyrazole
PubChem CID89063481
Molecular FormulaC6H5N5O
Molecular Weight163.14 g/mol
Exact Mass163.05
IUPAC Name4-nitroso-5-(1H-pyrazol-4-yl)-1H-pyrazole
SMILESO=Nc1cn[nH]c1-c1cn[nH]c1
InChIInChI=1S/C6H5N5O/c12-11-5-3-9-10-6(5)4-1-7-8-2-4/h1-3H,(H,7,8)(H,9,10)
InChIKeySEDWUYNKWWNOHS-UHFFFAOYSA-N
XLogP1.20
TPSA86.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-nitroso-5-(1H-pyrazol-4-yl)-1H-pyrazole?
The IUPAC name of 4-nitroso-5-(1H-pyrazol-4-yl)-1H-pyrazole (CID 89063481) is 4-nitroso-5-(1H-pyrazol-4-yl)-1H-pyrazole.
What is the SMILES notation for 4-nitroso-5-(1H-pyrazol-4-yl)-1H-pyrazole?
The canonical SMILES for 4-nitroso-5-(1H-pyrazol-4-yl)-1H-pyrazole is O=Nc1cn[nH]c1-c1cn[nH]c1.
What is the InChIKey of 4-nitroso-5-(1H-pyrazol-4-yl)-1H-pyrazole?
The InChIKey is SEDWUYNKWWNOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O/c12-11-5-3-9-10-6(5)4-1-7-8-2-4/h1-3H,(H,7,8)(H,9,10).
What are the key properties of 4-nitroso-5-(1H-pyrazol-4-yl)-1H-pyrazole?
4-nitroso-5-(1H-pyrazol-4-yl)-1H-pyrazole has a molecular weight of 163.14 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitroso-5-(1H-pyrazol-4-yl)-1H-pyrazole is sourced from PubChem (CID 89063481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).