3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4-sulfonamide

C12H19N5O3S — CID 106369265

IUPAC3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCc2nc(C)c(C)o2)c(N)n1
InChIInChI=1S/C12H19N5O3S/c1-4-5-17-7-10(12(13)16-17)21(18,19)14-6-11-15-8(2)9(3)20-11/h7,14H,4-6H2,1-3H3,(H2,13,16)
InChIKeyGULFBIPIYRGBAH-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.96
Rot. Bonds6

About 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4-sulfonamide

3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4-sulfonamide (PubChem CID 106369265) has the molecular formula C12H19N5O3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
PubChem CID106369265
Molecular FormulaC12H19N5O3S
Molecular Weight313.38 g/mol
Exact Mass313.12
IUPAC Name3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCc2nc(C)c(C)o2)c(N)n1
InChIInChI=1S/C12H19N5O3S/c1-4-5-17-7-10(12(13)16-17)21(18,19)14-6-11-15-8(2)9(3)20-11/h7,14H,4-6H2,1-3H3,(H2,13,16)
InChIKeyGULFBIPIYRGBAH-UHFFFAOYSA-N
XLogP0.96
TPSA116.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(2-methoxy-2-methylpropyl)-1-propylpyrazole-4-sulfonamide
CID 104758504
3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide
CID 113464453
3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide
CID 64570397
2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-propylacetamide
CID 60809447
3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide
CID 63242905
3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 106022301
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzenesulfonamide
CID 106369295
3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide
CID 61125115
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 106369275
3-amino-N-(5-methylhexan-2-yl)-1-propylpyrazole-4-sulfonamide
CID 60808316
3-amino-N-(2,5-dimethylpyrazol-3-yl)-1-propylpyrazole-4-sulfonamide
CID 60813517
3-amino-N-but-3-en-2-yl-1-propylpyrazole-4-sulfonamide
CID 113480784

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4-sulfonamide (CID 106369265) is 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCc2nc(C)c(C)o2)c(N)n1.
What is the InChIKey of 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4-sulfonamide?
The InChIKey is GULFBIPIYRGBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3S/c1-4-5-17-7-10(12(13)16-17)21(18,19)14-6-11-15-8(2)9(3)20-11/h7,14H,4-6H2,1-3H3,(H2,13,16).
What are the key properties of 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4-sulfonamide?
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 106369265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).