6-(2-chloro-6-fluorophenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-amine

C11H6ClF4N5 — CID 136929446

IUPAC6-(2-chloro-6-fluorophenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-amine
SMILESNc1[nH]nc2c1c(C(F)(F)F)nn2-c1c(F)cccc1Cl
InChIInChI=1S/C11H6ClF4N5/c12-4-2-1-3-5(13)7(4)21-10-6(9(17)18-19-10)8(20-21)11(14,15)16/h1-3H,(H3,17,18,19)
InChIKeyFFUCHWSIKGDMCJ-UHFFFAOYSA-N
MW319.65 g/mol
LogP3.14
Rot. Bonds1

About 6-(2-chloro-6-fluorophenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-amine

6-(2-chloro-6-fluorophenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-amine (PubChem CID 136929446) has the molecular formula C11H6ClF4N5 and a molecular weight of 319.65 g/mol. Its IUPAC name is 6-(2-chloro-6-fluorophenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-amine.

Molecular Properties

Compound Name6-(2-chloro-6-fluorophenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-amine
PubChem CID136929446
Molecular FormulaC11H6ClF4N5
Molecular Weight319.65 g/mol
Exact Mass319.02
IUPAC Name6-(2-chloro-6-fluorophenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-amine
SMILESNc1[nH]nc2c1c(C(F)(F)F)nn2-c1c(F)cccc1Cl
InChIInChI=1S/C11H6ClF4N5/c12-4-2-1-3-5(13)7(4)21-10-6(9(17)18-19-10)8(20-21)11(14,15)16/h1-3H,(H3,17,18,19)
InChIKeyFFUCHWSIKGDMCJ-UHFFFAOYSA-N
XLogP3.14
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.65
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100560606
3-chloro-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]aniline
CID 19624456
4-chloro-1-phenyl-3-(trifluoromethyl)pyrazolo[3,4-b]pyridine
CID 135253333
methyl 5-amino-1-(2-chloro-6-fluorophenyl)-3-(ethylamino)pyrazole-4-carboxylate
CID 102809243
3-chloro-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline
CID 19624453
4-(2,6-dichlorophenyl)-1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100560803
6-(2-chloro-6-fluorophenyl)-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 150807748
1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole
CID 154211349
4-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4,5-diamine
CID 82234948
8-fluoro-4-(trifluoromethyl)isoquinolin-1-amine
CID 115063127
1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine
CID 71384169
2-[3-chloro-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]anilino]ethene-1,1,2-tricarbonitrile
CID 168608658

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-fluorophenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-amine?
The IUPAC name of 6-(2-chloro-6-fluorophenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-amine (CID 136929446) is 6-(2-chloro-6-fluorophenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-amine.
What is the SMILES notation for 6-(2-chloro-6-fluorophenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-amine?
The canonical SMILES for 6-(2-chloro-6-fluorophenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-amine is Nc1[nH]nc2c1c(C(F)(F)F)nn2-c1c(F)cccc1Cl.
What is the InChIKey of 6-(2-chloro-6-fluorophenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-amine?
The InChIKey is FFUCHWSIKGDMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF4N5/c12-4-2-1-3-5(13)7(4)21-10-6(9(17)18-19-10)8(20-21)11(14,15)16/h1-3H,(H3,17,18,19).
What are the key properties of 6-(2-chloro-6-fluorophenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-amine?
6-(2-chloro-6-fluorophenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-amine has a molecular weight of 319.65 g/mol, XLogP of 3.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-fluorophenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-amine is sourced from PubChem (CID 136929446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).