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

C19H23FN2O2 — CID 82591419

IUPAC2-[1-[(2-fluorophenyl)methyl]-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
SMILESCC(C)c1nn(Cc2ccccc2F)c2c1C(CC(=O)O)CCC2
InChIInChI=1S/C19H23FN2O2/c1-12(2)19-18-13(10-17(23)24)7-5-9-16(18)22(21-19)11-14-6-3-4-8-15(14)20/h3-4,6,8,12-13H,5,7,9-11H2,1-2H3,(H,23,24)
InChIKeyCDOBFPDSPRQFMC-UHFFFAOYSA-N
MW330.40 g/mol
LogP4.09
Rot. Bonds5

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

2-[1-[(2-fluorophenyl)methyl]-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid (PubChem CID 82591419) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
PubChem CID82591419
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
SMILESCC(C)c1nn(Cc2ccccc2F)c2c1C(CC(=O)O)CCC2
InChIInChI=1S/C19H23FN2O2/c1-12(2)19-18-13(10-17(23)24)7-5-9-16(18)22(21-19)11-14-6-3-4-8-15(14)20/h3-4,6,8,12-13H,5,7,9-11H2,1-2H3,(H,23,24)
InChIKeyCDOBFPDSPRQFMC-UHFFFAOYSA-N
XLogP4.09
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-[1-[(2-fluorophenyl)methyl]-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid (CID 82591419) is 2-[1-[(2-fluorophenyl)methyl]-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid is CC(C)c1nn(Cc2ccccc2F)c2c1C(CC(=O)O)CCC2.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
The InChIKey is CDOBFPDSPRQFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-12(2)19-18-13(10-17(23)24)7-5-9-16(18)22(21-19)11-14-6-3-4-8-15(14)20/h3-4,6,8,12-13H,5,7,9-11H2,1-2H3,(H,23,24).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid?
2-[1-[(2-fluorophenyl)methyl]-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid has a molecular weight of 330.40 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-3-propan-2-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid is sourced from PubChem (CID 82591419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).