N-(1H-indazol-4-yl)-1,3,5-trimethylpyrazole-4-sulfonamide

C13H15N5O2S — CID 99633536

IUPACN-(1H-indazol-4-yl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C13H15N5O2S/c1-8-13(9(2)18(3)16-8)21(19,20)17-12-6-4-5-11-10(12)7-14-15-11/h4-7,17H,1-3H3,(H,14,15)
InChIKeyOKAUPRRPRNKMQR-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.71
Rot. Bonds3

About N-(1H-indazol-4-yl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(1H-indazol-4-yl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 99633536) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(1H-indazol-4-yl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-4-yl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID99633536
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC NameN-(1H-indazol-4-yl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C13H15N5O2S/c1-8-13(9(2)18(3)16-8)21(19,20)17-12-6-4-5-11-10(12)7-14-15-11/h4-7,17H,1-3H3,(H,14,15)
InChIKeyOKAUPRRPRNKMQR-UHFFFAOYSA-N
XLogP1.71
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-indazol-4-yl)methanesulfonamide
CID 1481965
CID 70689295
CID 70689295
N-(1H-indazol-6-yl)benzenesulfonamide
CID 2444871
4-Amino-N-1H-indazol-6-ylbenzenesulfonamide
CID 83696
N-(1H-indazol-6-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 8002115
N-{4-[(1H-indazol-4-ylamino)sulfonyl]phenyl}acetamide
CID 1481964
N-(1H-indazol-6-yl)butane-1-sulfonamide
CID 2531217
1-cyclopentyl-N-[(2S)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
CID 16665449
N-[(2S)-1-[[1-(4-cyanophenyl)indazol-4-yl]amino]propan-2-yl]-1-cyclopentyl-3,5-dimethylpyrazole-4-sulfonamide
CID 16665528
8-Fluoro-4-methyl-5-(1-methylpyrazol-4-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24865989
3-[5-(cyclohexylamino)-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
CID 54675539
N-[(2S)-1-(1H-indazol-4-ylamino)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 57651604

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-4-yl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(1H-indazol-4-yl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 99633536) is N-(1H-indazol-4-yl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(1H-indazol-4-yl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(1H-indazol-4-yl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)Nc1cccc2[nH]ncc12.
What is the InChIKey of N-(1H-indazol-4-yl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is OKAUPRRPRNKMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-8-13(9(2)18(3)16-8)21(19,20)17-12-6-4-5-11-10(12)7-14-15-11/h4-7,17H,1-3H3,(H,14,15).
What are the key properties of N-(1H-indazol-4-yl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(1H-indazol-4-yl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 305.36 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-4-yl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 99633536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).