3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide

C11H18N6O2S — CID 104616984

IUPAC3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)c(N)n1
InChIInChI=1S/C11H18N6O2S/c1-11(2,3)8-5-9(14-13-8)16-20(18,19)7-6-17(4)15-10(7)12/h5-6H,1-4H3,(H2,12,15)(H2,13,14,16)
InChIKeyWCPZNQKGYZCSKP-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.82
Rot. Bonds3

About 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide

3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide (PubChem CID 104616984) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide
PubChem CID104616984
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC Name3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)c(N)n1
InChIInChI=1S/C11H18N6O2S/c1-11(2,3)8-5-9(14-13-8)16-20(18,19)7-6-17(4)15-10(7)12/h5-6H,1-4H3,(H2,12,15)(H2,13,14,16)
InChIKeyWCPZNQKGYZCSKP-UHFFFAOYSA-N
XLogP0.82
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide
CID 112695660
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616993
5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
CID 104617001
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide
CID 104616977
5-amino-2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616990
N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 3288654
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide
CID 3830785
3-amino-N-(3,4-dicyanophenyl)-1-methylpyrazole-4-sulfonamide
CID 107786922
5-tert-butyl-3-(diethylsulfamoylamino)-1H-pyrazole
CID 113258114
3-amino-N-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-4-sulfonamide
CID 60808613
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 3726599
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 115687613

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide (CID 104616984) is 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)c(N)n1.
What is the InChIKey of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is WCPZNQKGYZCSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-11(2,3)8-5-9(14-13-8)16-20(18,19)7-6-17(4)15-10(7)12/h5-6H,1-4H3,(H2,12,15)(H2,13,14,16).
What are the key properties of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide?
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 298.37 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 104616984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).