5-[1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]pentanoic acid

C19H21F3N2O2 — CID 14576230

IUPAC5-[1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]pentanoic acid
SMILESO=C(O)CCCCc1nn(-c2cccc(C(F)(F)F)c2)c2c1CCCC2
InChIInChI=1S/C19H21F3N2O2/c20-19(21,22)13-6-5-7-14(12-13)24-17-10-3-1-8-15(17)16(23-24)9-2-4-11-18(25)26/h5-7,12H,1-4,8-11H2,(H,25,26)
InChIKeyXRIUMHSBFMVUQU-UHFFFAOYSA-N
MW366.38 g/mol
LogP4.57
Rot. Bonds6

About 5-[1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]pentanoic acid

5-[1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]pentanoic acid (PubChem CID 14576230) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 5-[1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]pentanoic acid.

Molecular Properties

Compound Name5-[1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]pentanoic acid
PubChem CID14576230
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name5-[1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]pentanoic acid
SMILESO=C(O)CCCCc1nn(-c2cccc(C(F)(F)F)c2)c2c1CCCC2
InChIInChI=1S/C19H21F3N2O2/c20-19(21,22)13-6-5-7-14(12-13)24-17-10-3-1-8-15(17)16(23-24)9-2-4-11-18(25)26/h5-7,12H,1-4,8-11H2,(H,25,26)
InChIKeyXRIUMHSBFMVUQU-UHFFFAOYSA-N
XLogP4.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-{4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}-2-propanone
CID 24827043
trans-(1S,2S)-2-[4-[3-methyl-1-(4-methylphenyl)indazol-6-yl]phenyl]cyclopropane-1-carboxylic acid
CID 137648938
trans-(1S,2S)-2-[4-[4-fluoro-3-methyl-1-(4-methylphenyl)indazol-6-yl]phenyl]cyclopropane-1-carboxylic acid
CID 137657813
Pyrazole-4-acetic acid, 3-methyl-1,5-diphenyl-
CID 619059
Trifezolac
CID 3084566
4-[4-(5,5-difluoro-2,3-dimethyl-6,7-dihydro-4H-indol-1-yl)phenyl]butanoic acid
CID 145952096
1H-Indazole-3-acetic acid, 4,5,6,7-tetrahydro-1-phenyl-
CID 210672
2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}acetic acid
CID 16773898
2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetic acid
CID 17984203
2-(4-Ethyl-1,5-diphenylpyrazol-3-yl)acetic acid
CID 10614604
1-[3-(Trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 12484375
2-[3-(Trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 12484386

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]pentanoic acid?
The IUPAC name of 5-[1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]pentanoic acid (CID 14576230) is 5-[1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]pentanoic acid.
What is the SMILES notation for 5-[1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]pentanoic acid?
The canonical SMILES for 5-[1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]pentanoic acid is O=C(O)CCCCc1nn(-c2cccc(C(F)(F)F)c2)c2c1CCCC2.
What is the InChIKey of 5-[1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]pentanoic acid?
The InChIKey is XRIUMHSBFMVUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c20-19(21,22)13-6-5-7-14(12-13)24-17-10-3-1-8-15(17)16(23-24)9-2-4-11-18(25)26/h5-7,12H,1-4,8-11H2,(H,25,26).
What are the key properties of 5-[1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]pentanoic acid?
5-[1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]pentanoic acid has a molecular weight of 366.38 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-yl]pentanoic acid is sourced from PubChem (CID 14576230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).