5-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

C14H13FN2O2 — CID 12003785

IUPAC5-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CC(c1ccccc1F)CC2
InChIInChI=1S/C14H13FN2O2/c15-11-4-2-1-3-9(11)8-5-6-12-10(7-8)13(14(18)19)17-16-12/h1-4,8H,5-7H2,(H,16,17)(H,18,19)
InChIKeyIBIKXOKLTWYROG-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.52
Rot. Bonds2

About 5-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

5-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (PubChem CID 12003785) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
PubChem CID12003785
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name5-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CC(c1ccccc1F)CC2
InChIInChI=1S/C14H13FN2O2/c15-11-4-2-1-3-9(11)8-5-6-12-10(7-8)13(14(18)19)17-16-12/h1-4,8H,5-7H2,(H,16,17)(H,18,19)
InChIKeyIBIKXOKLTWYROG-UHFFFAOYSA-N
XLogP2.52
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The IUPAC name of 5-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (CID 12003785) is 5-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The canonical SMILES for 5-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is O=C(O)c1n[nH]c2c1CC(c1ccccc1F)CC2.
What is the InChIKey of 5-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The InChIKey is IBIKXOKLTWYROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-11-4-2-1-3-9(11)8-5-6-12-10(7-8)13(14(18)19)17-16-12/h1-4,8H,5-7H2,(H,16,17)(H,18,19).
What are the key properties of 5-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
5-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid has a molecular weight of 260.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 12003785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).