3-nitroso-1H-pyrazole-5-carboxylic acid

C4H3N3O3 — CID 88901797

IUPAC3-nitroso-1H-pyrazole-5-carboxylic acid
SMILESO=Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C4H3N3O3/c8-4(9)2-1-3(7-10)6-5-2/h1H,(H,5,6)(H,8,9)
InChIKeyQWFNWNJLEOXBCG-UHFFFAOYSA-N
MW141.09 g/mol
LogP0.51
Rot. Bonds2

About 3-nitroso-1H-pyrazole-5-carboxylic acid

3-nitroso-1H-pyrazole-5-carboxylic acid (PubChem CID 88901797) has the molecular formula C4H3N3O3 and a molecular weight of 141.09 g/mol. Its IUPAC name is 3-nitroso-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-nitroso-1H-pyrazole-5-carboxylic acid
PubChem CID88901797
Molecular FormulaC4H3N3O3
Molecular Weight141.09 g/mol
Exact Mass141.02
IUPAC Name3-nitroso-1H-pyrazole-5-carboxylic acid
SMILESO=Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C4H3N3O3/c8-4(9)2-1-3(7-10)6-5-2/h1H,(H,5,6)(H,8,9)
InChIKeyQWFNWNJLEOXBCG-UHFFFAOYSA-N
XLogP0.51
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.09
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-nitroso-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-nitroso-1H-pyrazole-5-carboxylic acid (CID 88901797) is 3-nitroso-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-nitroso-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-nitroso-1H-pyrazole-5-carboxylic acid is O=Nc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-nitroso-1H-pyrazole-5-carboxylic acid?
The InChIKey is QWFNWNJLEOXBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3O3/c8-4(9)2-1-3(7-10)6-5-2/h1H,(H,5,6)(H,8,9).
What are the key properties of 3-nitroso-1H-pyrazole-5-carboxylic acid?
3-nitroso-1H-pyrazole-5-carboxylic acid has a molecular weight of 141.09 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitroso-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 88901797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).