3-(ethylaminomethyl)-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide

C11H19N7O2S — CID 106093623

IUPAC3-(ethylaminomethyl)-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCCNCc1n[nH]c(C)c1S(=O)(=O)NCc1ncn(C)n1
InChIInChI=1S/C11H19N7O2S/c1-4-12-5-9-11(8(2)15-16-9)21(19,20)14-6-10-13-7-18(3)17-10/h7,12,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyWBBITXUPHSUJTE-UHFFFAOYSA-N
MW313.39 g/mol
LogP-0.57
Rot. Bonds7

About 3-(ethylaminomethyl)-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide

3-(ethylaminomethyl)-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 106093623) has the molecular formula C11H19N7O2S and a molecular weight of 313.39 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(ethylaminomethyl)-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID106093623
Molecular FormulaC11H19N7O2S
Molecular Weight313.39 g/mol
Exact Mass313.13
IUPAC Name3-(ethylaminomethyl)-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCCNCc1n[nH]c(C)c1S(=O)(=O)NCc1ncn(C)n1
InChIInChI=1S/C11H19N7O2S/c1-4-12-5-9-11(8(2)15-16-9)21(19,20)14-6-10-13-7-18(3)17-10/h7,12,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyWBBITXUPHSUJTE-UHFFFAOYSA-N
XLogP-0.57
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-(ethylaminomethyl)-5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106013540
3-(ethylaminomethyl)-5-methyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106031016
3-(ethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106085279
N-(cyclopentylmethyl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106027270
5-methyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]-1H-pyrazole-3-carboxylic acid
CID 80685161
3-(ethylaminomethyl)-5-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1H-pyrazole-4-sulfonamide
CID 106064926
3-(ethylaminomethyl)-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide
CID 106093372
5-methyl-3-(methylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 106076387
5-(ethylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106093591
3-(ethylaminomethyl)-5-methyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 106079848
3-(ethylaminomethyl)-5-methyl-N-thiophen-3-yl-1H-pyrazole-4-sulfonamide
CID 106070171
5-methyl-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106411035

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(ethylaminomethyl)-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 106093623) is 3-(ethylaminomethyl)-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(ethylaminomethyl)-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(ethylaminomethyl)-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide is CCNCc1n[nH]c(C)c1S(=O)(=O)NCc1ncn(C)n1.
What is the InChIKey of 3-(ethylaminomethyl)-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is WBBITXUPHSUJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7O2S/c1-4-12-5-9-11(8(2)15-16-9)21(19,20)14-6-10-13-7-18(3)17-10/h7,12,14H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 3-(ethylaminomethyl)-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
3-(ethylaminomethyl)-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 313.39 g/mol, XLogP of -0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106093623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).