2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-ethylpropanamide

C11H21N5O3S — CID 60810102

IUPAC2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-ethylpropanamide
SMILESCCCn1cc(S(=O)(=O)NC(C)C(=O)NCC)c(N)n1
InChIInChI=1S/C11H21N5O3S/c1-4-6-16-7-9(10(12)14-16)20(18,19)15-8(3)11(17)13-5-2/h7-8,15H,4-6H2,1-3H3,(H2,12,14)(H,13,17)
InChIKeyMJVNLZUSEQVRHX-UHFFFAOYSA-N
MW303.39 g/mol
LogP-0.32
Rot. Bonds7

About 2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-ethylpropanamide

2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-ethylpropanamide (PubChem CID 60810102) 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)sulfonylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-ethylpropanamide
PubChem CID60810102
Molecular FormulaC11H21N5O3S
Molecular Weight303.39 g/mol
Exact Mass303.14
IUPAC Name2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-ethylpropanamide
SMILESCCCn1cc(S(=O)(=O)NC(C)C(=O)NCC)c(N)n1
InChIInChI=1S/C11H21N5O3S/c1-4-6-16-7-9(10(12)14-16)20(18,19)15-8(3)11(17)13-5-2/h7-8,15H,4-6H2,1-3H3,(H2,12,14)(H,13,17)
InChIKeyMJVNLZUSEQVRHX-UHFFFAOYSA-N
XLogP-0.32
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(5-methylhexan-2-yl)-1-propylpyrazole-4-sulfonamide
CID 60808316
3-amino-N-but-3-en-2-yl-1-propylpyrazole-4-sulfonamide
CID 113480784
3-amino-N-(1-phenylethyl)-1-propylpyrazole-4-sulfonamide
CID 60814855
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-1-propyl-N-(1-pyridin-2-ylethyl)pyrazole-4-sulfonamide
CID 60808797
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propylpyrazole-4-sulfonamide
CID 107843691
3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide
CID 61125115
2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 62153701
3-amino-N-(2,5-dimethylpyrazol-3-yl)-1-propylpyrazole-4-sulfonamide
CID 60813517
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

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-ethylpropanamide?
The IUPAC name of 2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-ethylpropanamide (CID 60810102) is 2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-ethylpropanamide is CCCn1cc(S(=O)(=O)NC(C)C(=O)NCC)c(N)n1.
What is the InChIKey of 2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-ethylpropanamide?
The InChIKey is MJVNLZUSEQVRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3S/c1-4-6-16-7-9(10(12)14-16)20(18,19)15-8(3)11(17)13-5-2/h7-8,15H,4-6H2,1-3H3,(H2,12,14)(H,13,17).
What are the key properties of 2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-ethylpropanamide?
2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-ethylpropanamide has a molecular weight of 303.39 g/mol, XLogP of -0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-ethylpropanamide is sourced from PubChem (CID 60810102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).