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

C9H9F3N2O2 — CID 83861629

IUPAC2-[3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetic acid
SMILESO=C(O)CC1CCc2[nH]nc(C(F)(F)F)c21
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)8-7-4(3-6(15)16)1-2-5(7)13-14-8/h4H,1-3H2,(H,13,14)(H,15,16)
InChIKeyVYOYFFWQEFCXBC-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.93
Rot. Bonds2

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

2-[3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetic acid (PubChem CID 83861629) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetic acid
PubChem CID83861629
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name2-[3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetic acid
SMILESO=C(O)CC1CCc2[nH]nc(C(F)(F)F)c21
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)8-7-4(3-6(15)16)1-2-5(7)13-14-8/h4H,1-3H2,(H,13,14)(H,15,16)
InChIKeyVYOYFFWQEFCXBC-UHFFFAOYSA-N
XLogP1.93
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid
CID 23005990
2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetic acid
CID 83858867
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 71756824
2-[4-oxo-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic acid
CID 71185030
2-[5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid
CID 71185034
2-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic acid
CID 71185055
Ethyl 2-[3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetate
CID 71185076
ethyl 2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydro-1H-cyclopenta[d]pyrazol-4-yl]acetate
CID 71185234
2-[3-(Trifluoromethyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-4-yl]acetic acid
CID 71185301
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid hydrochloride
CID 71756823
3-(Trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861625
(5S)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 96581853

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetic acid (CID 83861629) is 2-[3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetic acid is O=C(O)CC1CCc2[nH]nc(C(F)(F)F)c21.
What is the InChIKey of 2-[3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetic acid?
The InChIKey is VYOYFFWQEFCXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-9(11,12)8-7-4(3-6(15)16)1-2-5(7)13-14-8/h4H,1-3H2,(H,13,14)(H,15,16).
What are the key properties of 2-[3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetic acid?
2-[3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetic acid has a molecular weight of 234.18 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetic acid is sourced from PubChem (CID 83861629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).