4-tert-butyl-1-methylpyrazole-5-sulfonamide

C8H15N3O2S — CID 170927539

IUPAC4-tert-butyl-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(C(C)(C)C)c1S(N)(=O)=O
InChIInChI=1S/C8H15N3O2S/c1-8(2,3)6-5-10-11(4)7(6)14(9,12)13/h5H,1-4H3,(H2,9,12,13)
InChIKeyLCWBMTLZCNRSRN-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.37
Rot. Bonds1

About 4-tert-butyl-1-methylpyrazole-5-sulfonamide

4-tert-butyl-1-methylpyrazole-5-sulfonamide (PubChem CID 170927539) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 4-tert-butyl-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-tert-butyl-1-methylpyrazole-5-sulfonamide
PubChem CID170927539
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name4-tert-butyl-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(C(C)(C)C)c1S(N)(=O)=O
InChIInChI=1S/C8H15N3O2S/c1-8(2,3)6-5-10-11(4)7(6)14(9,12)13/h5H,1-4H3,(H2,9,12,13)
InChIKeyLCWBMTLZCNRSRN-UHFFFAOYSA-N
XLogP0.37
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-1-methylpyrazole-5-sulfonamide
CID 14049166
1,5-dimethylpyrazole-4-sulfonamide
CID 13342781
4-tert-butyl-1,5-dimethylpyrazole;formamide
CID 155706087
1-methyl-4-(piperazin-1-ylmethyl)pyrazole-5-sulfonamide
CID 174286810
4-amino-N,1-dimethylpyrazole-5-sulfonamide
CID 122673408
1-methyl-5-methylsulfonyl-4-nitropyrazole
CID 105457047
5-N-(tert-butylsulfamoyl)-1-methylpyrazole-4,5-diamine
CID 114804868
N-(3-aminocyclobutyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106315126
2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid
CID 82406813
4-(1,1,2,2,3,3-hexafluoropropyl)-3-[4-(1,1,2,2,3,3-hexafluoropropyl)-1-methylpyrazol-5-yl]sulfonyl-1-methylpyrazole
CID 139600191
1,5-dimethylpyrazole-4-sulfonic acid;hydrochloride
CID 174974386
5-tert-butyl-1-methylpyrazole-4-carbonitrile
CID 58431827

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-tert-butyl-1-methylpyrazole-5-sulfonamide (CID 170927539) is 4-tert-butyl-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-tert-butyl-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-tert-butyl-1-methylpyrazole-5-sulfonamide is Cn1ncc(C(C)(C)C)c1S(N)(=O)=O.
What is the InChIKey of 4-tert-butyl-1-methylpyrazole-5-sulfonamide?
The InChIKey is LCWBMTLZCNRSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-8(2,3)6-5-10-11(4)7(6)14(9,12)13/h5H,1-4H3,(H2,9,12,13).
What are the key properties of 4-tert-butyl-1-methylpyrazole-5-sulfonamide?
4-tert-butyl-1-methylpyrazole-5-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 170927539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).