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

C14H12F2N2O2 — CID 12003788

IUPAC5-(2,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CC(c1cc(F)ccc1F)CC2
InChIInChI=1S/C14H12F2N2O2/c15-8-2-3-11(16)9(6-8)7-1-4-12-10(5-7)13(14(19)20)18-17-12/h2-3,6-7H,1,4-5H2,(H,17,18)(H,19,20)
InChIKeyUPIXPUKUUGSFKW-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.66
Rot. Bonds2

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

5-(2,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (PubChem CID 12003788) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
PubChem CID12003788
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name5-(2,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CC(c1cc(F)ccc1F)CC2
InChIInChI=1S/C14H12F2N2O2/c15-8-2-3-11(16)9(6-8)7-1-4-12-10(5-7)13(14(19)20)18-17-12/h2-3,6-7H,1,4-5H2,(H,17,18)(H,19,20)
InChIKeyUPIXPUKUUGSFKW-UHFFFAOYSA-N
XLogP2.66
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The IUPAC name of 5-(2,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (CID 12003788) is 5-(2,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 5-(2,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The canonical SMILES for 5-(2,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is O=C(O)c1n[nH]c2c1CC(c1cc(F)ccc1F)CC2.
What is the InChIKey of 5-(2,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The InChIKey is UPIXPUKUUGSFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c15-8-2-3-11(16)9(6-8)7-1-4-12-10(5-7)13(14(19)20)18-17-12/h2-3,6-7H,1,4-5H2,(H,17,18)(H,19,20).
What are the key properties of 5-(2,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
5-(2,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid has a molecular weight of 278.26 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 12003788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).