N-(4-cyano-1-methylpyrazol-5-yl)-1-ethylimidazole-4-sulfonamide

C10H12N6O2S — CID 79504054

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)Nc2c(C#N)cnn2C)c1
InChIInChI=1S/C10H12N6O2S/c1-3-16-6-9(12-7-16)19(17,18)14-10-8(4-11)5-13-15(10)2/h5-7,14H,3H2,1-2H3
InChIKeySFTVVCXUKBDJRH-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.31
Rot. Bonds4

About N-(4-cyano-1-methylpyrazol-5-yl)-1-ethylimidazole-4-sulfonamide

N-(4-cyano-1-methylpyrazol-5-yl)-1-ethylimidazole-4-sulfonamide (PubChem CID 79504054) 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)-1-ethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-1-ethylimidazole-4-sulfonamide
PubChem CID79504054
Molecular FormulaC10H12N6O2S
Molecular Weight280.31 g/mol
Exact Mass280.07
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)Nc2c(C#N)cnn2C)c1
InChIInChI=1S/C10H12N6O2S/c1-3-16-6-9(12-7-16)19(17,18)14-10-8(4-11)5-13-15(10)2/h5-7,14H,3H2,1-2H3
InChIKeySFTVVCXUKBDJRH-UHFFFAOYSA-N
XLogP0.31
TPSA105.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-(2-propan-2-ylpyrazol-3-yl)-1H-imidazole-5-sulfonamide
CID 62998508
1-[[1-(2,2-Difluoroethyl)pyrazol-4-yl]methyl]-4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine
CID 126799700
1,2-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazole-4-sulfonamide
CID 146132317
1-[(1-ethyl-2-methyl-1H-imidazol-4-yl)sulfonyl]-4-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepane
CID 86266992
1-(2-Methylpyrazol-3-yl)imidazole-2-sulfonamide
CID 14252766
1-[(1-Methylimidazol-2-yl)methyl]pyrazole-3-sulfonamide
CID 137512309
5-chloro-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-sulfonamide
CID 43456000
1,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazole-4-sulfonamide
CID 47092489
5-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]imidazole-4-sulfonamide
CID 47364480
3-amino-N-(1H-imidazol-2-yl)-1-propylpyrazole-4-sulfonamide
CID 55215100
5-chloro-1-methyl-N-(1-methylpyrazol-3-yl)imidazole-4-sulfonamide
CID 60747627
3-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide
CID 60809909

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-1-ethylimidazole-4-sulfonamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-1-ethylimidazole-4-sulfonamide (CID 79504054) is N-(4-cyano-1-methylpyrazol-5-yl)-1-ethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-1-ethylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-1-ethylimidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)Nc2c(C#N)cnn2C)c1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-1-ethylimidazole-4-sulfonamide?
The InChIKey is SFTVVCXUKBDJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2S/c1-3-16-6-9(12-7-16)19(17,18)14-10-8(4-11)5-13-15(10)2/h5-7,14H,3H2,1-2H3.
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-1-ethylimidazole-4-sulfonamide?
N-(4-cyano-1-methylpyrazol-5-yl)-1-ethylimidazole-4-sulfonamide has a molecular weight of 280.31 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-1-ethylimidazole-4-sulfonamide is sourced from PubChem (CID 79504054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).