1-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide

C10H16N6O2S — CID 131938947

IUPAC1-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(C)c2nncn2C)cn1
InChIInChI=1S/C10H16N6O2S/c1-4-16-6-9(5-12-16)19(17,18)14-8(2)10-13-11-7-15(10)3/h5-8,14H,4H2,1-3H3
InChIKeyUSJPHZZMYCZOKQ-UHFFFAOYSA-N
MW284.35 g/mol
LogP0.07
Rot. Bonds5

About 1-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide

1-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 131938947) has the molecular formula C10H16N6O2S and a molecular weight of 284.35 g/mol. Its IUPAC name is 1-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID131938947
Molecular FormulaC10H16N6O2S
Molecular Weight284.35 g/mol
Exact Mass284.11
IUPAC Name1-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(C)c2nncn2C)cn1
InChIInChI=1S/C10H16N6O2S/c1-4-16-6-9(5-12-16)19(17,18)14-8(2)10-13-11-7-15(10)3/h5-8,14H,4H2,1-3H3
InChIKeyUSJPHZZMYCZOKQ-UHFFFAOYSA-N
XLogP0.07
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 95354370
4-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 62116978
1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide
CID 19681322
2-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide
CID 62118702
2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide
CID 62118697
N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
CID 19684001
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 6464996
N-(1-ethylpyrazol-4-yl)sulfonyl-3-methylbutanamide
CID 71978358
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
CID 55211655
5-(methylaminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106004654
4-(ethylaminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106004702
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-ethylpyrazole-4-sulfonamide
CID 71974660

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide (CID 131938947) is 1-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC(C)c2nncn2C)cn1.
What is the InChIKey of 1-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is USJPHZZMYCZOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2S/c1-4-16-6-9(5-12-16)19(17,18)14-8(2)10-13-11-7-15(10)3/h5-8,14H,4H2,1-3H3.
What are the key properties of 1-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide?
1-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 284.35 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 131938947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).