2-[(5-amino-1H-pyrazol-4-yl)sulfonylamino]-N-propylacetamide

C8H15N5O3S — CID 60809282

IUPAC2-[(5-amino-1H-pyrazol-4-yl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C8H15N5O3S/c1-2-3-10-7(14)5-12-17(15,16)6-4-11-13-8(6)9/h4,12H,2-3,5H2,1H3,(H,10,14)(H3,9,11,13)
InChIKeyCZVVQCIDKOPJHJ-UHFFFAOYSA-N
MW261.31 g/mol
LogP-1.20
Rot. Bonds6

About 2-[(5-amino-1H-pyrazol-4-yl)sulfonylamino]-N-propylacetamide

2-[(5-amino-1H-pyrazol-4-yl)sulfonylamino]-N-propylacetamide (PubChem CID 60809282) has the molecular formula C8H15N5O3S and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-[(5-amino-1H-pyrazol-4-yl)sulfonylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-pyrazol-4-yl)sulfonylamino]-N-propylacetamide
PubChem CID60809282
Molecular FormulaC8H15N5O3S
Molecular Weight261.31 g/mol
Exact Mass261.09
IUPAC Name2-[(5-amino-1H-pyrazol-4-yl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C8H15N5O3S/c1-2-3-10-7(14)5-12-17(15,16)6-4-11-13-8(6)9/h4,12H,2-3,5H2,1H3,(H,10,14)(H3,9,11,13)
InChIKeyCZVVQCIDKOPJHJ-UHFFFAOYSA-N
XLogP-1.20
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-pyrazol-4-yl)sulfonylamino]-N-propylacetamide?
The IUPAC name of 2-[(5-amino-1H-pyrazol-4-yl)sulfonylamino]-N-propylacetamide (CID 60809282) is 2-[(5-amino-1H-pyrazol-4-yl)sulfonylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(5-amino-1H-pyrazol-4-yl)sulfonylamino]-N-propylacetamide?
The canonical SMILES for 2-[(5-amino-1H-pyrazol-4-yl)sulfonylamino]-N-propylacetamide is CCCNC(=O)CNS(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 2-[(5-amino-1H-pyrazol-4-yl)sulfonylamino]-N-propylacetamide?
The InChIKey is CZVVQCIDKOPJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3S/c1-2-3-10-7(14)5-12-17(15,16)6-4-11-13-8(6)9/h4,12H,2-3,5H2,1H3,(H,10,14)(H3,9,11,13).
What are the key properties of 2-[(5-amino-1H-pyrazol-4-yl)sulfonylamino]-N-propylacetamide?
2-[(5-amino-1H-pyrazol-4-yl)sulfonylamino]-N-propylacetamide has a molecular weight of 261.31 g/mol, XLogP of -1.20, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-pyrazol-4-yl)sulfonylamino]-N-propylacetamide is sourced from PubChem (CID 60809282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).