2-(3-amino-1-methylpyrazol-4-yl)sulfonylguanidine

C5H10N6O2S — CID 116646299

IUPAC2-(3-amino-1-methylpyrazol-4-yl)sulfonylguanidine
SMILESCn1cc(S(=O)(=O)N=C(N)N)c(N)n1
InChIInChI=1S/C5H10N6O2S/c1-11-2-3(4(6)9-11)14(12,13)10-5(7)8/h2H,1H3,(H2,6,9)(H4,7,8,10)
InChIKeyMZZHUXLVYJIZRK-UHFFFAOYSA-N
MW218.24 g/mol
LogP-2.04
Rot. Bonds2

About 2-(3-amino-1-methylpyrazol-4-yl)sulfonylguanidine

2-(3-amino-1-methylpyrazol-4-yl)sulfonylguanidine (PubChem CID 116646299) has the molecular formula C5H10N6O2S and a molecular weight of 218.24 g/mol. Its IUPAC name is 2-(3-amino-1-methylpyrazol-4-yl)sulfonylguanidine.

Molecular Properties

Compound Name2-(3-amino-1-methylpyrazol-4-yl)sulfonylguanidine
PubChem CID116646299
Molecular FormulaC5H10N6O2S
Molecular Weight218.24 g/mol
Exact Mass218.06
IUPAC Name2-(3-amino-1-methylpyrazol-4-yl)sulfonylguanidine
SMILESCn1cc(S(=O)(=O)N=C(N)N)c(N)n1
InChIInChI=1S/C5H10N6O2S/c1-11-2-3(4(6)9-11)14(12,13)10-5(7)8/h2H,1H3,(H2,6,9)(H4,7,8,10)
InChIKeyMZZHUXLVYJIZRK-UHFFFAOYSA-N
XLogP-2.04
TPSA142.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 5-2.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-1-methylpyrazol-4-yl)sulfonylpyrrolidine-3-carboxamide
CID 114081675
2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 60808134
3-amino-N-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 60810084
4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 60809576
1-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylpyrazol-3-amine
CID 61225373
3-amino-1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
CID 114615063
3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
CID 60814194
3-amino-1-methyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 60810421
3-amino-N-(3-hydroxybutyl)-1-methylpyrazole-4-sulfonamide
CID 64929598
3-amino-N-(cyclopropylmethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide
CID 63954082
3-amino-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide
CID 60809582
2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 61116268

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1-methylpyrazol-4-yl)sulfonylguanidine?
The IUPAC name of 2-(3-amino-1-methylpyrazol-4-yl)sulfonylguanidine (CID 116646299) is 2-(3-amino-1-methylpyrazol-4-yl)sulfonylguanidine.
What is the SMILES notation for 2-(3-amino-1-methylpyrazol-4-yl)sulfonylguanidine?
The canonical SMILES for 2-(3-amino-1-methylpyrazol-4-yl)sulfonylguanidine is Cn1cc(S(=O)(=O)N=C(N)N)c(N)n1.
What is the InChIKey of 2-(3-amino-1-methylpyrazol-4-yl)sulfonylguanidine?
The InChIKey is MZZHUXLVYJIZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6O2S/c1-11-2-3(4(6)9-11)14(12,13)10-5(7)8/h2H,1H3,(H2,6,9)(H4,7,8,10).
What are the key properties of 2-(3-amino-1-methylpyrazol-4-yl)sulfonylguanidine?
2-(3-amino-1-methylpyrazol-4-yl)sulfonylguanidine has a molecular weight of 218.24 g/mol, XLogP of -2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1-methylpyrazol-4-yl)sulfonylguanidine is sourced from PubChem (CID 116646299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).