5-N-(tert-butylsulfamoyl)-1-methylpyrazole-4,5-diamine

C8H17N5O2S — CID 114804868

IUPAC5-N-(tert-butylsulfamoyl)-1-methylpyrazole-4,5-diamine
SMILESCn1ncc(N)c1NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H17N5O2S/c1-8(2,3)12-16(14,15)11-7-6(9)5-10-13(7)4/h5,11-12H,9H2,1-4H3
InChIKeyQVOVHUWHSMAOJT-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.05
Rot. Bonds3

About 5-N-(tert-butylsulfamoyl)-1-methylpyrazole-4,5-diamine

5-N-(tert-butylsulfamoyl)-1-methylpyrazole-4,5-diamine (PubChem CID 114804868) has the molecular formula C8H17N5O2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 5-N-(tert-butylsulfamoyl)-1-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(tert-butylsulfamoyl)-1-methylpyrazole-4,5-diamine
PubChem CID114804868
Molecular FormulaC8H17N5O2S
Molecular Weight247.32 g/mol
Exact Mass247.11
IUPAC Name5-N-(tert-butylsulfamoyl)-1-methylpyrazole-4,5-diamine
SMILESCn1ncc(N)c1NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H17N5O2S/c1-8(2,3)12-16(14,15)11-7-6(9)5-10-13(7)4/h5,11-12H,9H2,1-4H3
InChIKeyQVOVHUWHSMAOJT-UHFFFAOYSA-N
XLogP0.05
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(tert-butylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid
CID 114805357
4-amino-N,1-dimethylpyrazole-5-sulfonamide
CID 122673408
N-(4-amino-1-methylpyrazol-5-yl)-3-methyl-2-propan-2-ylbutanamide
CID 114282144
3-N-(tert-butylsulfamoyl)-2,4-dimethylbenzene-1,3-diamine
CID 114804269
1-N-(tert-butylsulfamoyl)-2,6-dimethylbenzene-1,4-diamine
CID 114804849
4-N-(tert-butylsulfamoyl)-2-chlorobenzene-1,4-diamine
CID 114804931
4-(aminomethyl)-N-(cyclopropylsulfamoyl)-1-methylpyrazol-5-amine
CID 114804098
N-[4-(aminomethyl)-1-methylpyrazol-5-yl]methanesulfonamide
CID 79504292
1-methyl-5-(2,2,2-trifluoroethylsulfamoylamino)pyrazole-4-carbothioamide
CID 114808481
sulfuric acid;5-N,5-N,1-trimethylpyrazole-4,5-diamine
CID 67825980
N-(4-amino-1-methylpyrazol-5-yl)-3-methylimidazole-4-carboxamide
CID 103510347
1-methyl-5-(4-methylsulfonylphenyl)pyrazol-4-amine
CID 83727845

Frequently Asked Questions

What is the IUPAC name of 5-N-(tert-butylsulfamoyl)-1-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(tert-butylsulfamoyl)-1-methylpyrazole-4,5-diamine (CID 114804868) is 5-N-(tert-butylsulfamoyl)-1-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(tert-butylsulfamoyl)-1-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(tert-butylsulfamoyl)-1-methylpyrazole-4,5-diamine is Cn1ncc(N)c1NS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 5-N-(tert-butylsulfamoyl)-1-methylpyrazole-4,5-diamine?
The InChIKey is QVOVHUWHSMAOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O2S/c1-8(2,3)12-16(14,15)11-7-6(9)5-10-13(7)4/h5,11-12H,9H2,1-4H3.
What are the key properties of 5-N-(tert-butylsulfamoyl)-1-methylpyrazole-4,5-diamine?
5-N-(tert-butylsulfamoyl)-1-methylpyrazole-4,5-diamine has a molecular weight of 247.32 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(tert-butylsulfamoyl)-1-methylpyrazole-4,5-diamine is sourced from PubChem (CID 114804868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).