3-amino-1-ethyl-N-(1H-indazol-4-yl)pyrazole-4-sulfonamide

C12H14N6O2S — CID 61112113

IUPAC3-amino-1-ethyl-N-(1H-indazol-4-yl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cccc3[nH]ncc23)c(N)n1
InChIInChI=1S/C12H14N6O2S/c1-2-18-7-11(12(13)16-18)21(19,20)17-10-5-3-4-9-8(10)6-14-15-9/h3-7,17H,2H2,1H3,(H2,13,16)(H,14,15)
InChIKeyZLYYEFHESLAZPU-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.16
Rot. Bonds4

About 3-amino-1-ethyl-N-(1H-indazol-4-yl)pyrazole-4-sulfonamide

3-amino-1-ethyl-N-(1H-indazol-4-yl)pyrazole-4-sulfonamide (PubChem CID 61112113) has the molecular formula C12H14N6O2S and a molecular weight of 306.35 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-(1H-indazol-4-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-(1H-indazol-4-yl)pyrazole-4-sulfonamide
PubChem CID61112113
Molecular FormulaC12H14N6O2S
Molecular Weight306.35 g/mol
Exact Mass306.09
IUPAC Name3-amino-1-ethyl-N-(1H-indazol-4-yl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cccc3[nH]ncc23)c(N)n1
InChIInChI=1S/C12H14N6O2S/c1-2-18-7-11(12(13)16-18)21(19,20)17-10-5-3-4-9-8(10)6-14-15-9/h3-7,17H,2H2,1H3,(H2,13,16)(H,14,15)
InChIKeyZLYYEFHESLAZPU-UHFFFAOYSA-N
XLogP1.16
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(1H-indazol-4-yl)benzenesulfonamide
CID 61113813
3-amino-N-(2,6-dibromophenyl)-1-ethylpyrazole-4-sulfonamide
CID 107596320
2-chloro-N-(1H-indazol-4-yl)benzenesulfonamide
CID 60524877
3-amino-1-ethyl-N-(3-hydroxyphenyl)pyrazole-4-sulfonamide
CID 61167291
N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide
CID 53356006
2,4-dibromo-N-(1H-indazol-4-yl)benzenesulfonamide
CID 61216548
3-amino-1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide
CID 60815181
N-(1H-indazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 60579360
3-amino-N-(2-methylphenyl)-1-propylpyrazole-4-sulfonamide
CID 60808427
2,5-dichloro-N-(1H-indazol-4-yl)thiophene-3-sulfonamide
CID 60579057
3-amino-N-(5-bromo-2-pyridinyl)-1-ethylpyrazole-4-sulfonamide
CID 54922471
3-amino-1-ethyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide
CID 60808760

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-(1H-indazol-4-yl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-(1H-indazol-4-yl)pyrazole-4-sulfonamide (CID 61112113) is 3-amino-1-ethyl-N-(1H-indazol-4-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-(1H-indazol-4-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-(1H-indazol-4-yl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2cccc3[nH]ncc23)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-(1H-indazol-4-yl)pyrazole-4-sulfonamide?
The InChIKey is ZLYYEFHESLAZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2S/c1-2-18-7-11(12(13)16-18)21(19,20)17-10-5-3-4-9-8(10)6-14-15-9/h3-7,17H,2H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 3-amino-1-ethyl-N-(1H-indazol-4-yl)pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-(1H-indazol-4-yl)pyrazole-4-sulfonamide has a molecular weight of 306.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-(1H-indazol-4-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 61112113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).