2-[1-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid

C16H21F3N2O2 — CID 82591389

IUPAC2-[1-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
SMILESO=C(O)CC1CCCc2c1c(C(F)(F)F)nn2C1CCCCC1
InChIInChI=1S/C16H21F3N2O2/c17-16(18,19)15-14-10(9-13(22)23)5-4-8-12(14)21(20-15)11-6-2-1-3-7-11/h10-11H,1-9H2,(H,22,23)
InChIKeyZFYOMXWVKMWGKC-UHFFFAOYSA-N
MW330.35 g/mol
LogP4.30
Rot. Bonds3

About 2-[1-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid

2-[1-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid (PubChem CID 82591389) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-[1-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
PubChem CID82591389
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name2-[1-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
SMILESO=C(O)CC1CCCc2c1c(C(F)(F)F)nn2C1CCCCC1
InChIInChI=1S/C16H21F3N2O2/c17-16(18,19)15-14-10(9-13(22)23)5-4-8-12(14)21(20-15)11-6-2-1-3-7-11/h10-11H,1-9H2,(H,22,23)
InChIKeyZFYOMXWVKMWGKC-UHFFFAOYSA-N
XLogP4.30
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]pentanoic acid
CID 66874623
Methyl 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]pentanoate
CID 66874892
4,4,4-trifluoro-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)butanoic acid
CID 63154984
2-[1-Propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591272
2-[3-(2-Fluorophenyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591281
2-[1-(2-Amino-2-oxoethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591312
2-[1-(Carboxymethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591327
2-[1-[2-(Dimethylamino)ethyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591342
2-[1-(2-Methoxy-2-oxoethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591353
3-[4-(Carboxymethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid
CID 82591364
2-[3-Ethyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591417
2-[1-[(2-Fluorophenyl)methyl]-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591419

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The IUPAC name of 2-[1-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid (CID 82591389) is 2-[1-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid is O=C(O)CC1CCCc2c1c(C(F)(F)F)nn2C1CCCCC1.
What is the InChIKey of 2-[1-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The InChIKey is ZFYOMXWVKMWGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c17-16(18,19)15-14-10(9-13(22)23)5-4-8-12(14)21(20-15)11-6-2-1-3-7-11/h10-11H,1-9H2,(H,22,23).
What are the key properties of 2-[1-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
2-[1-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid has a molecular weight of 330.35 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclohexyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid is sourced from PubChem (CID 82591389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).