1H-pyrazole-5-sulfinic acid

C3H4N2O2S — CID 19832711

IUPAC1H-pyrazole-5-sulfinic acid
SMILESO=S(O)c1ccn[nH]1
InChIInChI=1S/C3H4N2O2S/c6-8(7)3-1-2-4-5-3/h1-2H,(H,4,5)(H,6,7)
InChIKeyCGCZGDRBDQWMGE-UHFFFAOYSA-N
MW132.14 g/mol
LogP-0.01
Rot. Bonds1

About 1H-pyrazole-5-sulfinic acid

1H-pyrazole-5-sulfinic acid (PubChem CID 19832711) has the molecular formula C3H4N2O2S and a molecular weight of 132.14 g/mol. Its IUPAC name is 1H-pyrazole-5-sulfinic acid.

Molecular Properties

Compound Name1H-pyrazole-5-sulfinic acid
PubChem CID19832711
Molecular FormulaC3H4N2O2S
Molecular Weight132.14 g/mol
Exact Mass132.00
IUPAC Name1H-pyrazole-5-sulfinic acid
SMILESO=S(O)c1ccn[nH]1
InChIInChI=1S/C3H4N2O2S/c6-8(7)3-1-2-4-5-3/h1-2H,(H,4,5)(H,6,7)
InChIKeyCGCZGDRBDQWMGE-UHFFFAOYSA-N
XLogP-0.01
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole-5-sulfinic acid?
The IUPAC name of 1H-pyrazole-5-sulfinic acid (CID 19832711) is 1H-pyrazole-5-sulfinic acid.
What is the SMILES notation for 1H-pyrazole-5-sulfinic acid?
The canonical SMILES for 1H-pyrazole-5-sulfinic acid is O=S(O)c1ccn[nH]1.
What is the InChIKey of 1H-pyrazole-5-sulfinic acid?
The InChIKey is CGCZGDRBDQWMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O2S/c6-8(7)3-1-2-4-5-3/h1-2H,(H,4,5)(H,6,7).
What are the key properties of 1H-pyrazole-5-sulfinic acid?
1H-pyrazole-5-sulfinic acid has a molecular weight of 132.14 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole-5-sulfinic acid is sourced from PubChem (CID 19832711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).