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

C16H17FN2O2 — CID 14576249

IUPAC3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]propanoic acid
SMILESO=C(O)CCc1nn(-c2ccc(F)cc2)c2c1CCCC2
InChIInChI=1S/C16H17FN2O2/c17-11-5-7-12(8-6-11)19-15-4-2-1-3-13(15)14(18-19)9-10-16(20)21/h5-8H,1-4,9-10H2,(H,20,21)
InChIKeyPVIJDDSBVJYUKS-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.91
Rot. Bonds4

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

3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]propanoic acid (PubChem CID 14576249) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]propanoic acid
PubChem CID14576249
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]propanoic acid
SMILESO=C(O)CCc1nn(-c2ccc(F)cc2)c2c1CCCC2
InChIInChI=1S/C16H17FN2O2/c17-11-5-7-12(8-6-11)19-15-4-2-1-3-13(15)14(18-19)9-10-16(20)21/h5-8H,1-4,9-10H2,(H,20,21)
InChIKeyPVIJDDSBVJYUKS-UHFFFAOYSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 1477271
trans-(1S,2S)-2-[4-[4-fluoro-3-methyl-1-(4-methylphenyl)indazol-6-yl]phenyl]cyclopropane-1-carboxylic acid
CID 137657813
3-[5-(3,5-Dichlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]propanoic acid
CID 164615552
Pyrazole-4-acetic acid, 3-methyl-1,5-diphenyl-
CID 619059
Trifezolac
CID 3084566
sodium (E,3R,5S)-7-[2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-3,5-dihydroxyhept-6-enoate
CID 23665085
Butyric acid, 4-(p-(2H-indazol-2-yl)phenyl)-
CID 54727
1H-Indazole-3-acetic acid, 4,5,6,7-tetrahydro-1-phenyl-
CID 210672
1-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 16775744
2-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]acetic acid
CID 14770001
2-(1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 16771504
2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetic acid
CID 17984203

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]propanoic acid?
The IUPAC name of 3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]propanoic acid (CID 14576249) is 3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]propanoic acid is O=C(O)CCc1nn(-c2ccc(F)cc2)c2c1CCCC2.
What is the InChIKey of 3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]propanoic acid?
The InChIKey is PVIJDDSBVJYUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-11-5-7-12(8-6-11)19-15-4-2-1-3-13(15)14(18-19)9-10-16(20)21/h5-8H,1-4,9-10H2,(H,20,21).
What are the key properties of 3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]propanoic acid?
3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]propanoic acid has a molecular weight of 288.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]propanoic acid is sourced from PubChem (CID 14576249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).