5-(trifluoromethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]aniline

C14H11F6N3 — CID 19627043

IUPAC5-(trifluoromethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]aniline
SMILESNc1cc(C(F)(F)F)ccc1-n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C14H11F6N3/c15-13(16,17)7-4-5-11(9(21)6-7)23-10-3-1-2-8(10)12(22-23)14(18,19)20/h4-6H,1-3,21H2
InChIKeyOHSUQMDTBAMRRP-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.98
Rot. Bonds1

About 5-(trifluoromethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]aniline

5-(trifluoromethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]aniline (PubChem CID 19627043) has the molecular formula C14H11F6N3 and a molecular weight of 335.25 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]aniline.

Molecular Properties

Compound Name5-(trifluoromethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]aniline
PubChem CID19627043
Molecular FormulaC14H11F6N3
Molecular Weight335.25 g/mol
Exact Mass335.09
IUPAC Name5-(trifluoromethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]aniline
SMILESNc1cc(C(F)(F)F)ccc1-n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C14H11F6N3/c15-13(16,17)7-4-5-11(9(21)6-7)23-10-3-1-2-8(10)12(22-23)14(18,19)20/h4-6H,1-3,21H2
InChIKeyOHSUQMDTBAMRRP-UHFFFAOYSA-N
XLogP3.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]aniline
CID 19626969
3-cyano-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide
CID 59531708
dimethyl 3-[5-(trifluoromethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633997
1-(2-chloro-4-pyrrolidin-1-ylphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 168514539
3-chloro-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]aniline
CID 19624456
3-(hydroxymethyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide
CID 59531753
1-(4-azido-2-chlorophenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 169325956
2-(azetidin-1-yl)-5-(trifluoromethyl)aniline
CID 58829519
2-[4-[2-amino-4-(trifluoromethyl)phenyl]piperazin-1-yl]-5-(trifluoromethyl)aniline
CID 102226461
1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-amine
CID 102942537
2-chloro-N'-[3-chloro-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]ethanimidamide
CID 169368197
2-chloro-N'-[5-chloro-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]ethanimidamide
CID 169368179

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]aniline?
The IUPAC name of 5-(trifluoromethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]aniline (CID 19627043) is 5-(trifluoromethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]aniline.
What is the SMILES notation for 5-(trifluoromethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]aniline?
The canonical SMILES for 5-(trifluoromethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]aniline is Nc1cc(C(F)(F)F)ccc1-n1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of 5-(trifluoromethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]aniline?
The InChIKey is OHSUQMDTBAMRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F6N3/c15-13(16,17)7-4-5-11(9(21)6-7)23-10-3-1-2-8(10)12(22-23)14(18,19)20/h4-6H,1-3,21H2.
What are the key properties of 5-(trifluoromethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]aniline?
5-(trifluoromethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]aniline has a molecular weight of 335.25 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]aniline is sourced from PubChem (CID 19627043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).