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

C12H18N2O2 — CID 58559229

IUPAC1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)c2c1CC(C)(C)CC2
InChIInChI=1S/C12H18N2O2/c1-4-14-9-7-12(2,3)6-5-8(9)10(13-14)11(15)16/h4-7H2,1-3H3,(H,15,16)
InChIKeyDBHBYKBXRWNWQD-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.12
Rot. Bonds2

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

1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid (PubChem CID 58559229) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid
PubChem CID58559229
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)c2c1CC(C)(C)CC2
InChIInChI=1S/C12H18N2O2/c1-4-14-9-7-12(2,3)6-5-8(9)10(13-14)11(15)16/h4-7H2,1-3H3,(H,15,16)
InChIKeyDBHBYKBXRWNWQD-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid?
The IUPAC name of 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid (CID 58559229) is 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid?
The canonical SMILES for 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid is CCn1nc(C(=O)O)c2c1CC(C)(C)CC2.
What is the InChIKey of 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid?
The InChIKey is DBHBYKBXRWNWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-14-9-7-12(2,3)6-5-8(9)10(13-14)11(15)16/h4-7H2,1-3H3,(H,15,16).
What are the key properties of 1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid?
1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid has a molecular weight of 222.29 g/mol, XLogP of 2.12, 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-dimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid is sourced from PubChem (CID 58559229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).