1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole-3-carboxylic acid

C10H12F2N2O2 — CID 58559026

IUPAC1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)c2c1CC(F)(F)CC2
InChIInChI=1S/C10H12F2N2O2/c1-2-14-7-5-10(11,12)4-3-6(7)8(13-14)9(15)16/h2-5H2,1H3,(H,15,16)
InChIKeyBZBHXGBQCWTDEP-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.73
Rot. Bonds2

About 1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole-3-carboxylic acid

1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole-3-carboxylic acid (PubChem CID 58559026) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole-3-carboxylic acid
PubChem CID58559026
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)c2c1CC(F)(F)CC2
InChIInChI=1S/C10H12F2N2O2/c1-2-14-7-5-10(11,12)4-3-6(7)8(13-14)9(15)16/h2-5H2,1H3,(H,15,16)
InChIKeyBZBHXGBQCWTDEP-UHFFFAOYSA-N
XLogP1.73
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole-3-carboxylic acid?
The IUPAC name of 1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole-3-carboxylic acid (CID 58559026) is 1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole-3-carboxylic acid?
The canonical SMILES for 1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole-3-carboxylic acid is CCn1nc(C(=O)O)c2c1CC(F)(F)CC2.
What is the InChIKey of 1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole-3-carboxylic acid?
The InChIKey is BZBHXGBQCWTDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-2-14-7-5-10(11,12)4-3-6(7)8(13-14)9(15)16/h2-5H2,1H3,(H,15,16).
What are the key properties of 1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole-3-carboxylic acid?
1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole-3-carboxylic acid has a molecular weight of 230.21 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole-3-carboxylic acid is sourced from PubChem (CID 58559026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).