3-amino-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

C6H9F3N4O2S — CID 60809738

IUPAC3-amino-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(F)(F)F)c(N)n1
InChIInChI=1S/C6H9F3N4O2S/c1-13-2-4(5(10)12-13)16(14,15)11-3-6(7,8)9/h2,11H,3H2,1H3,(H2,10,12)
InChIKeyHQCDPFYVAKYKAH-UHFFFAOYSA-N
MW258.22 g/mol
LogP-0.16
Rot. Bonds3

About 3-amino-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

3-amino-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (PubChem CID 60809738) has the molecular formula C6H9F3N4O2S and a molecular weight of 258.22 g/mol. Its IUPAC name is 3-amino-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
PubChem CID60809738
Molecular FormulaC6H9F3N4O2S
Molecular Weight258.22 g/mol
Exact Mass258.04
IUPAC Name3-amino-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(F)(F)F)c(N)n1
InChIInChI=1S/C6H9F3N4O2S/c1-13-2-4(5(10)12-13)16(14,15)11-3-6(7,8)9/h2,11H,3H2,1H3,(H2,10,12)
InChIKeyHQCDPFYVAKYKAH-UHFFFAOYSA-N
XLogP-0.16
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 81339718
1-(difluoromethyl)-1H-pyrazole-4-sulfonamide
CID 81341145
1-methyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 43258985
3-amino-1-methyl-1H-pyrazole-4-sulfonyl fluoride
CID 137949482
3-Amino-1-methyl-4-(trifluoromethylthio)pyrazole
CID 21464385
1-(2,2-difluoroethyl)-1H-pyrazole-4-sulfonamide
CID 75355935
5-Amino-1-(difluoromethyl)pyrazole-4-sulfonyl chloride
CID 155193304
3-amino-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 55006605
3-amino-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 55006939
3-amino-N,1-diethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 55006940
3-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 55174165
3-amino-1-ethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60809899

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (CID 60809738) is 3-amino-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCC(F)(F)F)c(N)n1.
What is the InChIKey of 3-amino-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is HQCDPFYVAKYKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4O2S/c1-13-2-4(5(10)12-13)16(14,15)11-3-6(7,8)9/h2,11H,3H2,1H3,(H2,10,12).
What are the key properties of 3-amino-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
3-amino-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 258.22 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 60809738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).