3-[3-(trifluoromethylsulfonyl)phenyl]-1,2-dihydropyrazole-3,5-diamine

C10H11F3N4O2S — CID 142854820

IUPAC3-[3-(trifluoromethylsulfonyl)phenyl]-1,2-dihydropyrazole-3,5-diamine
SMILESNC1=CC(N)(c2cccc(S(=O)(=O)C(F)(F)F)c2)NN1
InChIInChI=1S/C10H11F3N4O2S/c11-10(12,13)20(18,19)7-3-1-2-6(4-7)9(15)5-8(14)16-17-9/h1-5,16-17H,14-15H2
InChIKeyYESNQQXNLQGWEO-UHFFFAOYSA-N
MW308.29 g/mol
LogP-0.00
Rot. Bonds2

About 3-[3-(trifluoromethylsulfonyl)phenyl]-1,2-dihydropyrazole-3,5-diamine

3-[3-(trifluoromethylsulfonyl)phenyl]-1,2-dihydropyrazole-3,5-diamine (PubChem CID 142854820) has the molecular formula C10H11F3N4O2S and a molecular weight of 308.29 g/mol. Its IUPAC name is 3-[3-(trifluoromethylsulfonyl)phenyl]-1,2-dihydropyrazole-3,5-diamine.

Molecular Properties

Compound Name3-[3-(trifluoromethylsulfonyl)phenyl]-1,2-dihydropyrazole-3,5-diamine
PubChem CID142854820
Molecular FormulaC10H11F3N4O2S
Molecular Weight308.29 g/mol
Exact Mass308.06
IUPAC Name3-[3-(trifluoromethylsulfonyl)phenyl]-1,2-dihydropyrazole-3,5-diamine
SMILESNC1=CC(N)(c2cccc(S(=O)(=O)C(F)(F)F)c2)NN1
InChIInChI=1S/C10H11F3N4O2S/c11-10(12,13)20(18,19)7-3-1-2-6(4-7)9(15)5-8(14)16-17-9/h1-5,16-17H,14-15H2
InChIKeyYESNQQXNLQGWEO-UHFFFAOYSA-N
XLogP-0.00
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 5-0.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(Trifluoromethylsulfonyl)phenyl]-1,2-dihydro-1,2,4-triazole-3,5-diamine
CID 90030534
3-[4-(Trifluoromethylsulfonyl)phenyl]-1,2-dihydro-1,2,4-triazole-3,5-diamine
CID 90031365
3-[3-(Trifluoromethyl)diaziridin-3-yl]benzenesulfonamide
CID 134259786
3-[3-(Trifluoromethyl)diaziridin-3-yl]benzenesulfonyl chloride
CID 134259787
[4,4,4-Trifluoro-1-(3-methylsulfonylphenyl)butyl]hydrazine
CID 105313810
[5,5,5-Trifluoro-1-(3-methylsulfonylphenyl)pentyl]hydrazine
CID 105328847
[(3-Trifluoromethanesulfonylphenyl)methyl]hydrazine
CID 165885572
3-(3-Methylsulfonylphenyl)-1,2-dihydro-1,2,4-triazole-3,5-diamine
CID 117867967

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethylsulfonyl)phenyl]-1,2-dihydropyrazole-3,5-diamine?
The IUPAC name of 3-[3-(trifluoromethylsulfonyl)phenyl]-1,2-dihydropyrazole-3,5-diamine (CID 142854820) is 3-[3-(trifluoromethylsulfonyl)phenyl]-1,2-dihydropyrazole-3,5-diamine.
What is the SMILES notation for 3-[3-(trifluoromethylsulfonyl)phenyl]-1,2-dihydropyrazole-3,5-diamine?
The canonical SMILES for 3-[3-(trifluoromethylsulfonyl)phenyl]-1,2-dihydropyrazole-3,5-diamine is NC1=CC(N)(c2cccc(S(=O)(=O)C(F)(F)F)c2)NN1.
What is the InChIKey of 3-[3-(trifluoromethylsulfonyl)phenyl]-1,2-dihydropyrazole-3,5-diamine?
The InChIKey is YESNQQXNLQGWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2S/c11-10(12,13)20(18,19)7-3-1-2-6(4-7)9(15)5-8(14)16-17-9/h1-5,16-17H,14-15H2.
What are the key properties of 3-[3-(trifluoromethylsulfonyl)phenyl]-1,2-dihydropyrazole-3,5-diamine?
3-[3-(trifluoromethylsulfonyl)phenyl]-1,2-dihydropyrazole-3,5-diamine has a molecular weight of 308.29 g/mol, XLogP of -0.00, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethylsulfonyl)phenyl]-1,2-dihydropyrazole-3,5-diamine is sourced from PubChem (CID 142854820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).