N-(4-cyano-1-methylpyrazol-5-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C10H12N6O2S — CID 79503403

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1c(C#N)cnn1C
InChIInChI=1S/C10H12N6O2S/c1-6-9(7(2)14-13-6)19(17,18)15-10-8(4-11)5-12-16(10)3/h5,15H,1-3H3,(H,13,14)
InChIKeyBAOHELLERFYWMB-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.43
Rot. Bonds3

About N-(4-cyano-1-methylpyrazol-5-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(4-cyano-1-methylpyrazol-5-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 79503403) has the molecular formula C10H12N6O2S and a molecular weight of 280.31 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID79503403
Molecular FormulaC10H12N6O2S
Molecular Weight280.31 g/mol
Exact Mass280.07
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1c(C#N)cnn1C
InChIInChI=1S/C10H12N6O2S/c1-6-9(7(2)14-13-6)19(17,18)15-10-8(4-11)5-12-16(10)3/h5,15H,1-3H3,(H,13,14)
InChIKeyBAOHELLERFYWMB-UHFFFAOYSA-N
XLogP0.43
TPSA116.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromo-2-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 82708048
N-(4-cyano-1-methylpyrazol-5-yl)-1-methylpyrazole-4-sulfonamide
CID 79504522
N-(4-cyano-1-methylpyrazol-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 79504055
N-(4-cyano-1-methylpyrazol-5-yl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 79503404
5-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-sulfonamide
CID 79503202
N-[4-(2-cyanoanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112989910
3,5-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 62904467
N-(4-cyano-1-methylpyrazol-5-yl)-1-ethylimidazole-4-sulfonamide
CID 79504054
3,5-dimethyl-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide
CID 113462575
4-cyano-1-methyl-5-(2-sulfamoylhydrazinyl)pyrazole
CID 151875563
N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 866897
N-(4-cyano-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanesulfonamide
CID 79503872

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 79503403) is N-(4-cyano-1-methylpyrazol-5-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1c(C#N)cnn1C.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is BAOHELLERFYWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2S/c1-6-9(7(2)14-13-6)19(17,18)15-10-8(4-11)5-12-16(10)3/h5,15H,1-3H3,(H,13,14).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(4-cyano-1-methylpyrazol-5-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 280.31 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 79503403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).