1-[3,5-bis(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid

C15H10F6N2O2 — CID 16776855

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2
InChIInChI=1S/C15H10F6N2O2/c16-14(17,18)7-4-8(15(19,20)21)6-9(5-7)23-11-3-1-2-10(11)12(22-23)13(24)25/h4-6H,1-3H2,(H,24,25)
InChIKeyGRJMSGVAHFGMNY-UHFFFAOYSA-N
MW364.25 g/mol
LogP4.10
Rot. Bonds2

About 1-[3,5-bis(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid

1-[3,5-bis(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid (PubChem CID 16776855) has the molecular formula C15H10F6N2O2 and a molecular weight of 364.25 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
PubChem CID16776855
Molecular FormulaC15H10F6N2O2
Molecular Weight364.25 g/mol
Exact Mass364.06
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2
InChIInChI=1S/C15H10F6N2O2/c16-14(17,18)7-4-8(15(19,20)21)6-9(5-7)23-11-3-1-2-10(11)12(22-23)13(24)25/h4-6H,1-3H2,(H,24,25)
InChIKeyGRJMSGVAHFGMNY-UHFFFAOYSA-N
XLogP4.10
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-Dimethyl-1H-pyrazol-1-yl)benzoic acid
CID 612274
1,5-diphenyl-1H-pyrazole-3-carboxylic acid
CID 869152
1-(4-fluorophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 1477271
1-(3-Methylphenyl)-5-Phenyl-1h-Pyrazole-3-Carboxylic Acid
CID 869081
1-phenyl-1H,4H,5H,6H-cyclopenta(c)pyrazole-3-carboxylic acid
CID 16227382
5-(3,5-dimethyl-1H-pyrazol-1-yl)isophthalic acid
CID 976376
2-(3-Carbamimidoylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 89388223
3-(4-Fluorophenyl)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid
CID 3894255
1-(3-(aminomethyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
CID 12114412
1-(4-ethylphenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid
CID 16772554
1-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 16775744
1-(4-chloro-2-fluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid
CID 43123861

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid (CID 16776855) is 1-[3,5-bis(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid is O=C(O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid?
The InChIKey is GRJMSGVAHFGMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6N2O2/c16-14(17,18)7-4-8(15(19,20)21)6-9(5-7)23-11-3-1-2-10(11)12(22-23)13(24)25/h4-6H,1-3H2,(H,24,25).
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid?
1-[3,5-bis(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid has a molecular weight of 364.25 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid is sourced from PubChem (CID 16776855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).