4-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N-ethylbenzenesulfonamide

C13H19N5O2S — CID 79529334

IUPAC4-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCc2cnn(C)c2N)cc1
InChIInChI=1S/C13H19N5O2S/c1-3-17-21(19,20)12-6-4-11(5-7-12)15-8-10-9-16-18(2)13(10)14/h4-7,9,15,17H,3,8,14H2,1-2H3
InChIKeyMSPZGBVYGKNTOP-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.91
Rot. Bonds6

About 4-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N-ethylbenzenesulfonamide

4-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N-ethylbenzenesulfonamide (PubChem CID 79529334) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 4-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N-ethylbenzenesulfonamide
PubChem CID79529334
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name4-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCc2cnn(C)c2N)cc1
InChIInChI=1S/C13H19N5O2S/c1-3-17-21(19,20)12-6-4-11(5-7-12)15-8-10-9-16-18(2)13(10)14/h4-7,9,15,17H,3,8,14H2,1-2H3
InChIKeyMSPZGBVYGKNTOP-UHFFFAOYSA-N
XLogP0.91
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-[(4-methylsulfonylanilino)methyl]pyrazol-5-amine
CID 79524226
4-[[4-(difluoromethylsulfonyl)anilino]methyl]-1-methylpyrazol-5-amine
CID 79529335
N-[(5-amino-1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 79523433
N-[(5-amino-1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide
CID 79524212
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide
CID 43453946
5-amino-4-[(dipropylsulfamoylamino)methyl]-1-methylpyrazole
CID 79523701
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide
CID 106272938
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-5-methylbenzenesulfonamide
CID 79524389
4-[(5-amino-1-methylpyrazol-4-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 79529175
N-ethyl-4-[(1-ethylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62349942
4-ethyl-1-methylpyrazol-5-amine
CID 22456644

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N-ethylbenzenesulfonamide?
The IUPAC name of 4-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N-ethylbenzenesulfonamide (CID 79529334) is 4-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(NCc2cnn(C)c2N)cc1.
What is the InChIKey of 4-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N-ethylbenzenesulfonamide?
The InChIKey is MSPZGBVYGKNTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-3-17-21(19,20)12-6-4-11(5-7-12)15-8-10-9-16-18(2)13(10)14/h4-7,9,15,17H,3,8,14H2,1-2H3.
What are the key properties of 4-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N-ethylbenzenesulfonamide?
4-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N-ethylbenzenesulfonamide has a molecular weight of 309.40 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 79529334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).