3-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide

C10H19N5O3S — CID 106913973

IUPAC3-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide
SMILESCCn1cc(S(=O)(=O)N(C)CCC(=O)NC)c(N)n1
InChIInChI=1S/C10H19N5O3S/c1-4-15-7-8(10(11)13-15)19(17,18)14(3)6-5-9(16)12-2/h7H,4-6H2,1-3H3,(H2,11,13)(H,12,16)
InChIKeyVDYLDWJNHDBQEE-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.76
Rot. Bonds6

About 3-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide

3-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide (PubChem CID 106913973) has the molecular formula C10H19N5O3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide
PubChem CID106913973
Molecular FormulaC10H19N5O3S
Molecular Weight289.36 g/mol
Exact Mass289.12
IUPAC Name3-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide
SMILESCCn1cc(S(=O)(=O)N(C)CCC(=O)NC)c(N)n1
InChIInChI=1S/C10H19N5O3S/c1-4-15-7-8(10(11)13-15)19(17,18)14(3)6-5-9(16)12-2/h7H,4-6H2,1-3H3,(H2,11,13)(H,12,16)
InChIKeyVDYLDWJNHDBQEE-UHFFFAOYSA-N
XLogP-0.76
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-methylacetamide
CID 54922809
3-amino-N,1-diethyl-N-methylpyrazole-4-sulfonamide
CID 60807966
3-amino-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60892701
2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propylamino]-N,N-dimethylacetamide
CID 61126808
3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913926
2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114473
3-amino-1-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 61106434
2-[(3-amino-1-propylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 60808306
3-[(3-amino-1-ethylpyrazol-4-yl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106274993
3-amino-1-ethyl-N-[(3-hydroxyphenyl)methyl]-N-methylpyrazole-4-sulfonamide
CID 61139222
3-amino-N-cyclopentyl-1-ethyl-N-methylpyrazole-4-sulfonamide
CID 60808791
3-[(5-amino-4-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913988

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide (CID 106913973) is 3-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide is CCn1cc(S(=O)(=O)N(C)CCC(=O)NC)c(N)n1.
What is the InChIKey of 3-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide?
The InChIKey is VDYLDWJNHDBQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O3S/c1-4-15-7-8(10(11)13-15)19(17,18)14(3)6-5-9(16)12-2/h7H,4-6H2,1-3H3,(H2,11,13)(H,12,16).
What are the key properties of 3-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide?
3-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide has a molecular weight of 289.36 g/mol, XLogP of -0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106913973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).