2-[(3-amino-1-propylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide

C11H21N5O3S — CID 60808306

IUPAC2-[(3-amino-1-propylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
SMILESCCCn1cc(S(=O)(=O)N(C)CC(=O)N(C)C)c(N)n1
InChIInChI=1S/C11H21N5O3S/c1-5-6-16-7-9(11(12)13-16)20(18,19)15(4)8-10(17)14(2)3/h7H,5-6,8H2,1-4H3,(H2,12,13)
InChIKeyUHAYHDUQVLWOQF-UHFFFAOYSA-N
MW303.39 g/mol
LogP-0.42
Rot. Bonds6

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

2-[(3-amino-1-propylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide (PubChem CID 60808306) has the molecular formula C11H21N5O3S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[(3-amino-1-propylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3-amino-1-propylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
PubChem CID60808306
Molecular FormulaC11H21N5O3S
Molecular Weight303.39 g/mol
Exact Mass303.14
IUPAC Name2-[(3-amino-1-propylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
SMILESCCCn1cc(S(=O)(=O)N(C)CC(=O)N(C)C)c(N)n1
InChIInChI=1S/C11H21N5O3S/c1-5-6-16-7-9(11(12)13-16)20(18,19)15(4)8-10(17)14(2)3/h7H,5-6,8H2,1-4H3,(H2,12,13)
InChIKeyUHAYHDUQVLWOQF-UHFFFAOYSA-N
XLogP-0.42
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 60808134
2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propylamino]-N,N-dimethylacetamide
CID 61126808
3-amino-N-(3-methoxypropyl)-N-methyl-1-propylpyrazole-4-sulfonamide
CID 62985370
2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 61116268
3-amino-N-butyl-N-ethyl-1-propylpyrazole-4-sulfonamide
CID 54922420
3-amino-N,1-diethyl-N-methylpyrazole-4-sulfonamide
CID 60807966
3-amino-N-methyl-1-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 64510009
3-amino-N-methyl-N-(1-methylpiperidin-4-yl)-1-propylpyrazole-4-sulfonamide
CID 60814704
3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 79304613
3-amino-N,N-bis(cyanomethyl)-1-propylpyrazole-4-sulfonamide
CID 60809886
3-amino-N-ethyl-N-phenyl-1-propylpyrazole-4-sulfonamide
CID 60815014
2-[(2-amino-3-pyridinyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 65427602

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1-propylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3-amino-1-propylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide (CID 60808306) is 2-[(3-amino-1-propylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3-amino-1-propylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3-amino-1-propylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide is CCCn1cc(S(=O)(=O)N(C)CC(=O)N(C)C)c(N)n1.
What is the InChIKey of 2-[(3-amino-1-propylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is UHAYHDUQVLWOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3S/c1-5-6-16-7-9(11(12)13-16)20(18,19)15(4)8-10(17)14(2)3/h7H,5-6,8H2,1-4H3,(H2,12,13).
What are the key properties of 2-[(3-amino-1-propylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide?
2-[(3-amino-1-propylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 303.39 g/mol, XLogP of -0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1-propylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 60808306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).