2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C8H12F3N5O3S — CID 61109755

IUPAC2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C8H12F3N5O3S/c1-16(3-6(17)13-4-8(9,10)11)20(18,19)5-2-14-15-7(5)12/h2H,3-4H2,1H3,(H,13,17)(H3,12,14,15)
InChIKeyCVSKSFAACYMWKB-UHFFFAOYSA-N
MW315.28 g/mol
LogP-0.71
Rot. Bonds5

About 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61109755) has the molecular formula C8H12F3N5O3S and a molecular weight of 315.28 g/mol. Its IUPAC name is 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61109755
Molecular FormulaC8H12F3N5O3S
Molecular Weight315.28 g/mol
Exact Mass315.06
IUPAC Name2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C8H12F3N5O3S/c1-16(3-6(17)13-4-8(9,10)11)20(18,19)5-2-14-15-7(5)12/h2H,3-4H2,1H3,(H,13,17)(H3,12,14,15)
InChIKeyCVSKSFAACYMWKB-UHFFFAOYSA-N
XLogP-0.71
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47268119
5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 55006938
N,N-dimethyl-2-[1H-pyrazol-4-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide
CID 60958755
5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 61106246
2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61109756
2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
CID 61109796
N-propyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide
CID 47267297
N-propan-2-yl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide
CID 47267387
2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N-methylacetamide
CID 47267534
2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propan-2-ylacetamide
CID 47268019
N-propyl-2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide
CID 47268135
2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propylacetamide
CID 47268192

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 61109755) is 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CVSKSFAACYMWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5O3S/c1-16(3-6(17)13-4-8(9,10)11)20(18,19)5-2-14-15-7(5)12/h2H,3-4H2,1H3,(H,13,17)(H3,12,14,15).
What are the key properties of 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 315.28 g/mol, XLogP of -0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61109755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).