1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid

C9H9F3N2O2 — CID 83861572

IUPAC1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
SMILESCn1nc(C(F)(F)F)c2c1CCC2C(=O)O
InChIInChI=1S/C9H9F3N2O2/c1-14-5-3-2-4(8(15)16)6(5)7(13-14)9(10,11)12/h4H,2-3H2,1H3,(H,15,16)
InChIKeyOOARLCPKEGUUBM-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.55
Rot. Bonds1

About 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid

1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid (PubChem CID 83861572) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
PubChem CID83861572
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
SMILESCn1nc(C(F)(F)F)c2c1CCC2C(=O)O
InChIInChI=1S/C9H9F3N2O2/c1-14-5-3-2-4(8(15)16)6(5)7(13-14)9(10,11)12/h4H,2-3H2,1H3,(H,15,16)
InChIKeyOOARLCPKEGUUBM-UHFFFAOYSA-N
XLogP1.55
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)butanoic acid
CID 63154984
3-[1-Methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]butanoic acid
CID 83957756
3-[1-Methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]pentanoic acid
CID 83957757
3-[1-Methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]hexanoic acid
CID 83957759
(3R)-4,4,4-trifluoro-3-(1,3,5-trimethylpyrazol-4-yl)butanoic acid
CID 95022416
(3S)-4,4,4-trifluoro-3-(1,3,5-trimethylpyrazol-4-yl)butanoic acid
CID 95022417
3-[1,5-Dimethyl-3-(trifluoromethyl)pyrazol-4-yl]propanoic acid
CID 116817549
2-Fluoro-3-(1,3,5-trimethylpyrazol-4-yl)butanoic acid
CID 130840915
2,2-difluoro-3-{2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}propanoic acid
CID 165490617
2-fluoro-2-{2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetic acid
CID 165493434
4,4-difluoro-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)cyclohexane-1-carboxylic acid
CID 165695893
2,2-difluoro-2-(2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)acetic acid
CID 165717812

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid (CID 83861572) is 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid is Cn1nc(C(F)(F)F)c2c1CCC2C(=O)O.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid?
The InChIKey is OOARLCPKEGUUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-14-5-3-2-4(8(15)16)6(5)7(13-14)9(10,11)12/h4H,2-3H2,1H3,(H,15,16).
What are the key properties of 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid?
1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid has a molecular weight of 234.18 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid is sourced from PubChem (CID 83861572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).