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

C12H20N6O2S — CID 105359259

IUPAC3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)c(N)nn1C
InChIInChI=1S/C12H20N6O2S/c1-7-10(11(13)16-18(7)5)21(19,20)17-9-6-8(14-15-9)12(2,3)4/h6H,1-5H3,(H2,13,16)(H2,14,15,17)
InChIKeyNWKMDYZWEJBAKR-UHFFFAOYSA-N
MW312.40 g/mol
LogP1.13
Rot. Bonds3

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

3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 105359259) has the molecular formula C12H20N6O2S and a molecular weight of 312.40 g/mol. Its IUPAC name is 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID105359259
Molecular FormulaC12H20N6O2S
Molecular Weight312.40 g/mol
Exact Mass312.14
IUPAC Name3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)c(N)nn1C
InChIInChI=1S/C12H20N6O2S/c1-7-10(11(13)16-18(7)5)21(19,20)17-9-6-8(14-15-9)12(2,3)4/h6H,1-5H3,(H2,13,16)(H2,14,15,17)
InChIKeyNWKMDYZWEJBAKR-UHFFFAOYSA-N
XLogP1.13
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1,5-dimethylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1,5-dimethylpyrazole-4-sulfonamide (CID 105359259) is 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)c(N)nn1C.
What is the InChIKey of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is NWKMDYZWEJBAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2S/c1-7-10(11(13)16-18(7)5)21(19,20)17-9-6-8(14-15-9)12(2,3)4/h6H,1-5H3,(H2,13,16)(H2,14,15,17).
What are the key properties of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 312.40 g/mol, XLogP of 1.13, 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)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105359259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).