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

C18H21FN2O2 — CID 82591281

IUPAC2-[3-(2-fluorophenyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
SMILESCC(C)n1nc(-c2ccccc2F)c2c1CCCC2CC(=O)O
InChIInChI=1S/C18H21FN2O2/c1-11(2)21-15-9-5-6-12(10-16(22)23)17(15)18(20-21)13-7-3-4-8-14(13)19/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,22,23)
InChIKeyBHDCWWLPRGNSTC-UHFFFAOYSA-N
MW316.38 g/mol
LogP4.16
Rot. Bonds4

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

2-[3-(2-fluorophenyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid (PubChem CID 82591281) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
PubChem CID82591281
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name2-[3-(2-fluorophenyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
SMILESCC(C)n1nc(-c2ccccc2F)c2c1CCCC2CC(=O)O
InChIInChI=1S/C18H21FN2O2/c1-11(2)21-15-9-5-6-12(10-16(22)23)17(15)18(20-21)13-7-3-4-8-14(13)19/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,22,23)
InChIKeyBHDCWWLPRGNSTC-UHFFFAOYSA-N
XLogP4.16
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(2-fluorophenyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic 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

(4S,6S)-6-{2-[1-benzyl-5-(4-fluorophenyl)-3-(propan-2-yl)-1H-pyrazol-4-yl]ethyl}-4-hydroxyoxan-2-one
CID 44349330
3-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 783977
3,4,5-Triphenyl-1H-pyrazole-1-nonanoic acid
CID 131814
8-(4,5-Diphenyl-pyrazol-1-yl)-octanoic acid
CID 10090048
9-(4,5-Diphenyl-pyrazol-1-yl)-nonanoic acid
CID 10452166
8-(3,4,5-Triphenylpyrazol-1-yl)octanoic acid
CID 15725725
3,4,5-triphenyl-1H-pyrazole-1-decanoic acid
CID 15725726
2-[1-(2,6-dimethylbenzyl)-3-methyl-1H-indazole-6-yl]acetic acid
CID 60152008
3-[1-[(2,6-Dimethylphenyl)methyl]-3-methylindazol-6-yl]propanoic acid
CID 68183990
2-[1-[(2,6-Dimethylphenyl)methyl]-3-ethylindazol-6-yl]acetic acid
CID 68184290
2-[1-[(2,6-Dimethylphenyl)methyl]-3-propan-2-ylindazol-6-yl]acetic acid
CID 68184292
2-[3-methyl-1-(2,4,6-trimethylbenzyl)-1H-indazole-6-yl]acetic acid
CID 68184447

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The IUPAC name of 2-[3-(2-fluorophenyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid (CID 82591281) is 2-[3-(2-fluorophenyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-fluorophenyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The canonical SMILES for 2-[3-(2-fluorophenyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid is CC(C)n1nc(-c2ccccc2F)c2c1CCCC2CC(=O)O.
What is the InChIKey of 2-[3-(2-fluorophenyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The InChIKey is BHDCWWLPRGNSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-11(2)21-15-9-5-6-12(10-16(22)23)17(15)18(20-21)13-7-3-4-8-14(13)19/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,22,23).
What are the key properties of 2-[3-(2-fluorophenyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
2-[3-(2-fluorophenyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid has a molecular weight of 316.38 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid is sourced from PubChem (CID 82591281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).