2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetic acid

C9H7F3N2O3 — CID 71185089

IUPAC2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(C(F)(F)F)c2c1CCC2=O
InChIInChI=1S/C9H7F3N2O3/c10-9(11,12)8-7-4(1-2-5(7)15)14(13-8)3-6(16)17/h1-3H2,(H,16,17)
InChIKeyUXWDZJUXYBJGKQ-UHFFFAOYSA-N
MW248.16 g/mol
LogP1.12
Rot. Bonds2

About 2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetic acid

2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetic acid (PubChem CID 71185089) has the molecular formula C9H7F3N2O3 and a molecular weight of 248.16 g/mol. Its IUPAC name is 2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetic acid
PubChem CID71185089
Molecular FormulaC9H7F3N2O3
Molecular Weight248.16 g/mol
Exact Mass248.04
IUPAC Name2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(C(F)(F)F)c2c1CCC2=O
InChIInChI=1S/C9H7F3N2O3/c10-9(11,12)8-7-4(1-2-5(7)15)14(13-8)3-6(16)17/h1-3H2,(H,16,17)
InChIKeyUXWDZJUXYBJGKQ-UHFFFAOYSA-N
XLogP1.12
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
CID 25247830
2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 788042
2-[3-(4-tert-butylphenyl)-4-oxo-6,7-dihydro-5H-indazol-1-yl]acetic acid
CID 110458551
3-(carboxymethyl)-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 162414391
2-[5,5-difluoro-3-methyl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid
CID 155337329
2-(3-ethoxycarbonyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)acetic acid
CID 82590583
methyl 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetate
CID 788041
2-[1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]acetic acid
CID 82383599
propan-2-yl 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetate
CID 788044
2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetic acid
CID 79872710
1-morpholin-4-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
CID 1223613
methyl 4-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]benzoate
CID 110458760

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetic acid (CID 71185089) is 2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetic acid is O=C(O)Cn1nc(C(F)(F)F)c2c1CCC2=O.
What is the InChIKey of 2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetic acid?
The InChIKey is UXWDZJUXYBJGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O3/c10-9(11,12)8-7-4(1-2-5(7)15)14(13-8)3-6(16)17/h1-3H2,(H,16,17).
What are the key properties of 2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetic acid?
2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetic acid has a molecular weight of 248.16 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 71185089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).