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

C9H14F3N5O3S — CID 61109796

IUPAC2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H14F3N5O3S/c1-16(2)7(18)4-17(5-9(10,11)12)21(19,20)6-3-14-15-8(6)13/h3H,4-5H2,1-2H3,(H3,13,14,15)
InChIKeyCMCGVSBIBXJMRB-UHFFFAOYSA-N
MW329.30 g/mol
LogP-0.37
Rot. Bonds5

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

2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide (PubChem CID 61109796) has the molecular formula C9H14F3N5O3S and a molecular weight of 329.30 g/mol. Its IUPAC name is 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
PubChem CID61109796
Molecular FormulaC9H14F3N5O3S
Molecular Weight329.30 g/mol
Exact Mass329.08
IUPAC Name2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H14F3N5O3S/c1-16(2)7(18)4-17(5-9(10,11)12)21(19,20)6-3-14-15-8(6)13/h3H,4-5H2,1-2H3,(H3,13,14,15)
InChIKeyCMCGVSBIBXJMRB-UHFFFAOYSA-N
XLogP-0.37
TPSA112.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide (CID 61109796) is 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide is CN(C)C(=O)CN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
The InChIKey is CMCGVSBIBXJMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5O3S/c1-16(2)7(18)4-17(5-9(10,11)12)21(19,20)6-3-14-15-8(6)13/h3H,4-5H2,1-2H3,(H3,13,14,15).
What are the key properties of 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide has a molecular weight of 329.30 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 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-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 61109796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).