2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propylamino]-N,N-dimethylacetamide

C12H23N5O3S — CID 61126808

IUPAC2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)S(=O)(=O)c1cn(CC)nc1N
InChIInChI=1S/C12H23N5O3S/c1-5-7-17(9-11(18)15(3)4)21(19,20)10-8-16(6-2)14-12(10)13/h8H,5-7,9H2,1-4H3,(H2,13,14)
InChIKeyOIVLHBNGDLXNBI-UHFFFAOYSA-N
MW317.42 g/mol
LogP-0.03
Rot. Bonds7

About 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propylamino]-N,N-dimethylacetamide

2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propylamino]-N,N-dimethylacetamide (PubChem CID 61126808) has the molecular formula C12H23N5O3S and a molecular weight of 317.42 g/mol. Its IUPAC name is 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propylamino]-N,N-dimethylacetamide
PubChem CID61126808
Molecular FormulaC12H23N5O3S
Molecular Weight317.42 g/mol
Exact Mass317.15
IUPAC Name2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)S(=O)(=O)c1cn(CC)nc1N
InChIInChI=1S/C12H23N5O3S/c1-5-7-17(9-11(18)15(3)4)21(19,20)10-8-16(6-2)14-12(10)13/h8H,5-7,9H2,1-4H3,(H2,13,14)
InChIKeyOIVLHBNGDLXNBI-UHFFFAOYSA-N
XLogP-0.03
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propylamino]-N,N-dimethylacetamide 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

2-[(3-amino-1-propylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 60808306
3-amino-1-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 61106434
2-[(2-amino-3-pyridinyl)sulfonyl-propylamino]-N,N-dimethylacetamide
CID 65427421
2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-methylacetamide
CID 54922809
3-amino-N,1-diethyl-N-methylpyrazole-4-sulfonamide
CID 60807966
2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114473
3-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913973
ethyl 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
CID 61125279
3-amino-N-butyl-N-ethyl-1-propylpyrazole-4-sulfonamide
CID 54922420
3-amino-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60892701
2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 60808134
3-amino-N-cyclopentyl-1-ethyl-N-methylpyrazole-4-sulfonamide
CID 60808791

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propylamino]-N,N-dimethylacetamide (CID 61126808) is 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)S(=O)(=O)c1cn(CC)nc1N.
What is the InChIKey of 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propylamino]-N,N-dimethylacetamide?
The InChIKey is OIVLHBNGDLXNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O3S/c1-5-7-17(9-11(18)15(3)4)21(19,20)10-8-16(6-2)14-12(10)13/h8H,5-7,9H2,1-4H3,(H2,13,14).
What are the key properties of 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propylamino]-N,N-dimethylacetamide?
2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propylamino]-N,N-dimethylacetamide has a molecular weight of 317.42 g/mol, XLogP of -0.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 61126808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).