3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide

C9H18N4O2S — CID 60814031

IUPAC3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(C)(C)C)c(N)n1
InChIInChI=1S/C9H18N4O2S/c1-5-13-6-7(8(10)11-13)16(14,15)12-9(2,3)4/h6,12H,5H2,1-4H3,(H2,10,11)
InChIKeyNUGQLQNHDIVJSP-UHFFFAOYSA-N
MW246.34 g/mol
LogP0.56
Rot. Bonds3

About 3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide

3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide (PubChem CID 60814031) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide
PubChem CID60814031
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(C)(C)C)c(N)n1
InChIInChI=1S/C9H18N4O2S/c1-5-13-6-7(8(10)11-13)16(14,15)12-9(2,3)4/h6,12H,5H2,1-4H3,(H2,10,11)
InChIKeyNUGQLQNHDIVJSP-UHFFFAOYSA-N
XLogP0.56
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-methyl-1H-pyrazole-4-sulfonyl fluoride
CID 137949482
Butyl[(1-ethylpyrazol-4-yl)sulfonyl]amine
CID 6466889
N-(1-tert-butyl-4-cyanopyrazol-3-yl)ethanesulfonamide
CID 86799058
3-amino-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 55006605
3-amino-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 55006939
3-amino-N,1-diethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 55006940
3-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 55174165
3-amino-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60809738
3-amino-1-ethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60809899
3-amino-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60809900
3-amino-N,1-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60892700
3-amino-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60892701

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide (CID 60814031) is 3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC(C)(C)C)c(N)n1.
What is the InChIKey of 3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide?
The InChIKey is NUGQLQNHDIVJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-5-13-6-7(8(10)11-13)16(14,15)12-9(2,3)4/h6,12H,5H2,1-4H3,(H2,10,11).
What are the key properties of 3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide?
3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide has a molecular weight of 246.34 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 60814031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).