1H-pyrazole-4-carboxamide;sulfuric acid

C4H7N3O5S — CID 157194164

IUPAC1H-pyrazole-4-carboxamide;sulfuric acid
SMILESNC(=O)c1cn[nH]c1.O=S(=O)(O)O
InChIInChI=1S/C4H5N3O.H2O4S/c5-4(8)3-1-6-7-2-3;1-5(2,3)4/h1-2H,(H2,5,8)(H,6,7);(H2,1,2,3,4)
InChIKeyAQAVZQQASBCQSH-UHFFFAOYSA-N
MW209.18 g/mol
LogP-1.14
Rot. Bonds1

About 1H-pyrazole-4-carboxamide;sulfuric acid

1H-pyrazole-4-carboxamide;sulfuric acid (PubChem CID 157194164) has the molecular formula C4H7N3O5S and a molecular weight of 209.18 g/mol. Its IUPAC name is 1H-pyrazole-4-carboxamide;sulfuric acid.

Molecular Properties

Compound Name1H-pyrazole-4-carboxamide;sulfuric acid
PubChem CID157194164
Molecular FormulaC4H7N3O5S
Molecular Weight209.18 g/mol
Exact Mass209.01
IUPAC Name1H-pyrazole-4-carboxamide;sulfuric acid
SMILESNC(=O)c1cn[nH]c1.O=S(=O)(O)O
InChIInChI=1S/C4H5N3O.H2O4S/c5-4(8)3-1-6-7-2-3;1-5(2,3)4/h1-2H,(H2,5,8)(H,6,7);(H2,1,2,3,4)
InChIKeyAQAVZQQASBCQSH-UHFFFAOYSA-N
XLogP-1.14
TPSA146.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole-4-carboxamide;sulfuric acid?
The IUPAC name of 1H-pyrazole-4-carboxamide;sulfuric acid (CID 157194164) is 1H-pyrazole-4-carboxamide;sulfuric acid.
What is the SMILES notation for 1H-pyrazole-4-carboxamide;sulfuric acid?
The canonical SMILES for 1H-pyrazole-4-carboxamide;sulfuric acid is NC(=O)c1cn[nH]c1.O=S(=O)(O)O.
What is the InChIKey of 1H-pyrazole-4-carboxamide;sulfuric acid?
The InChIKey is AQAVZQQASBCQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O.H2O4S/c5-4(8)3-1-6-7-2-3;1-5(2,3)4/h1-2H,(H2,5,8)(H,6,7);(H2,1,2,3,4).
What are the key properties of 1H-pyrazole-4-carboxamide;sulfuric acid?
1H-pyrazole-4-carboxamide;sulfuric acid has a molecular weight of 209.18 g/mol, XLogP of -1.14, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole-4-carboxamide;sulfuric acid is sourced from PubChem (CID 157194164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).