3-amino-5-methyl-1H-pyrazole-4-carboxamide;sulfuric acid

C5H10N4O5S — CID 71671601

IUPAC3-amino-5-methyl-1H-pyrazole-4-carboxamide;sulfuric acid
SMILESCc1[nH]nc(N)c1C(N)=O.O=S(=O)(O)O
InChIInChI=1S/C5H8N4O.H2O4S/c1-2-3(5(7)10)4(6)9-8-2;1-5(2,3)4/h1H3,(H2,7,10)(H3,6,8,9);(H2,1,2,3,4)
InChIKeyMPMRPAATQMUCKC-UHFFFAOYSA-N
MW238.22 g/mol
LogP-1.25
Rot. Bonds1

About 3-amino-5-methyl-1H-pyrazole-4-carboxamide;sulfuric acid

3-amino-5-methyl-1H-pyrazole-4-carboxamide;sulfuric acid (PubChem CID 71671601) has the molecular formula C5H10N4O5S and a molecular weight of 238.22 g/mol. Its IUPAC name is 3-amino-5-methyl-1H-pyrazole-4-carboxamide;sulfuric acid.

Molecular Properties

Compound Name3-amino-5-methyl-1H-pyrazole-4-carboxamide;sulfuric acid
PubChem CID71671601
Molecular FormulaC5H10N4O5S
Molecular Weight238.22 g/mol
Exact Mass238.04
IUPAC Name3-amino-5-methyl-1H-pyrazole-4-carboxamide;sulfuric acid
SMILESCc1[nH]nc(N)c1C(N)=O.O=S(=O)(O)O
InChIInChI=1S/C5H8N4O.H2O4S/c1-2-3(5(7)10)4(6)9-8-2;1-5(2,3)4/h1H3,(H2,7,10)(H3,6,8,9);(H2,1,2,3,4)
InChIKeyMPMRPAATQMUCKC-UHFFFAOYSA-N
XLogP-1.25
TPSA172.39 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 5-1.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 3-amino-5-methyl-1H-pyrazole-4-carboxamide;sulfuric acid?
The IUPAC name of 3-amino-5-methyl-1H-pyrazole-4-carboxamide;sulfuric acid (CID 71671601) is 3-amino-5-methyl-1H-pyrazole-4-carboxamide;sulfuric acid.
What is the SMILES notation for 3-amino-5-methyl-1H-pyrazole-4-carboxamide;sulfuric acid?
The canonical SMILES for 3-amino-5-methyl-1H-pyrazole-4-carboxamide;sulfuric acid is Cc1[nH]nc(N)c1C(N)=O.O=S(=O)(O)O.
What is the InChIKey of 3-amino-5-methyl-1H-pyrazole-4-carboxamide;sulfuric acid?
The InChIKey is MPMRPAATQMUCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O.H2O4S/c1-2-3(5(7)10)4(6)9-8-2;1-5(2,3)4/h1H3,(H2,7,10)(H3,6,8,9);(H2,1,2,3,4).
What are the key properties of 3-amino-5-methyl-1H-pyrazole-4-carboxamide;sulfuric acid?
3-amino-5-methyl-1H-pyrazole-4-carboxamide;sulfuric acid has a molecular weight of 238.22 g/mol, XLogP of -1.25, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-1H-pyrazole-4-carboxamide;sulfuric acid is sourced from PubChem (CID 71671601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).