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

C12H20N6O2S — CID 106085279

IUPAC3-(ethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCNCc1n[nH]c(C)c1S(=O)(=O)NCCc1ncc[nH]1
InChIInChI=1S/C12H20N6O2S/c1-3-13-8-10-12(9(2)17-18-10)21(19,20)16-5-4-11-14-6-7-15-11/h6-7,13,16H,3-5,8H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyPDSBSKKPXYWESM-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.07
Rot. Bonds8

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

3-(ethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 106085279) has the molecular formula C12H20N6O2S and a molecular weight of 312.40 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(ethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID106085279
Molecular FormulaC12H20N6O2S
Molecular Weight312.40 g/mol
Exact Mass312.14
IUPAC Name3-(ethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCNCc1n[nH]c(C)c1S(=O)(=O)NCCc1ncc[nH]1
InChIInChI=1S/C12H20N6O2S/c1-3-13-8-10-12(9(2)17-18-10)21(19,20)16-5-4-11-14-6-7-15-11/h6-7,13,16H,3-5,8H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyPDSBSKKPXYWESM-UHFFFAOYSA-N
XLogP0.07
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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)-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 106093623
N-(cyclopentylmethyl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106027270
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
2-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1H-imidazole
CID 106085278
3-(ethylaminomethyl)-5-methyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 106079848
N-[2-(1H-imidazol-2-yl)ethyl]-2-(methylaminomethyl)benzenesulfonamide
CID 106085257
3-(ethylaminomethyl)-5-methyl-N-thiophen-3-yl-1H-pyrazole-4-sulfonamide
CID 106070171
N-[2-(dimethylamino)ethyl]-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106032316
N-(1-cyclopropylpropan-2-yl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106065894

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(ethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide (CID 106085279) is 3-(ethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(ethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(ethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide is CCNCc1n[nH]c(C)c1S(=O)(=O)NCCc1ncc[nH]1.
What is the InChIKey of 3-(ethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is PDSBSKKPXYWESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2S/c1-3-13-8-10-12(9(2)17-18-10)21(19,20)16-5-4-11-14-6-7-15-11/h6-7,13,16H,3-5,8H2,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 3-(ethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide?
3-(ethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 312.40 g/mol, XLogP of 0.07, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106085279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).