5-(tert-butylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid

C9H16N4O4S — CID 114805357

IUPAC5-(tert-butylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H16N4O4S/c1-9(2,3)12-18(16,17)11-7-6(8(14)15)5-10-13(7)4/h5,11-12H,1-4H3,(H,14,15)
InChIKeyFGMWDNFXIVLPGD-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.16
Rot. Bonds4

About 5-(tert-butylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid

5-(tert-butylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid (PubChem CID 114805357) has the molecular formula C9H16N4O4S and a molecular weight of 276.32 g/mol. Its IUPAC name is 5-(tert-butylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(tert-butylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid
PubChem CID114805357
Molecular FormulaC9H16N4O4S
Molecular Weight276.32 g/mol
Exact Mass276.09
IUPAC Name5-(tert-butylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H16N4O4S/c1-9(2,3)12-18(16,17)11-7-6(8(14)15)5-10-13(7)4/h5,11-12H,1-4H3,(H,14,15)
InChIKeyFGMWDNFXIVLPGD-UHFFFAOYSA-N
XLogP0.16
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid
CID 114805356
5-N-(tert-butylsulfamoyl)-1-methylpyrazole-4,5-diamine
CID 114804868
1-methyl-5-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-carboxylic acid
CID 28784434
1-methyl-5-[(2-methylpyrazol-3-yl)sulfonylamino]pyrazole-4-carboxylic acid
CID 113443879
1-methyl-5-(propanoylamino)pyrazole-4-carboxylic acid
CID 110477561
5-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
CID 21251119
5-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
CID 106465673
5-[(4-ethylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
CID 43361454
5-(tert-butylsulfonylmethyl)-1-methylpyrazole-4-carboxylic acid
CID 116630464
5-(2-hydroxypropylamino)-1-methylpyrazole-4-carboxylic acid
CID 69159232
5-(2-methoxyethylamino)-1-methylpyrazole-4-carboxylic acid
CID 142758448
5-[(2-aminoacetyl)amino]-1-methylpyrazole-4-carboxylic acid
CID 110477668

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(tert-butylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid (CID 114805357) is 5-(tert-butylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(tert-butylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(tert-butylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1NS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 5-(tert-butylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is FGMWDNFXIVLPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4S/c1-9(2,3)12-18(16,17)11-7-6(8(14)15)5-10-13(7)4/h5,11-12H,1-4H3,(H,14,15).
What are the key properties of 5-(tert-butylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid?
5-(tert-butylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 276.32 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 114805357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).