5-(2,6-dimethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylic acid

C18H17FN2O2 — CID 175311463

IUPAC5-(2,6-dimethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylic acid
SMILESCc1cccc(C)c1C1NN=C(c2ccccc2F)C1C(=O)O
InChIInChI=1S/C18H17FN2O2/c1-10-6-5-7-11(2)14(10)17-15(18(22)23)16(20-21-17)12-8-3-4-9-13(12)19/h3-9,15,17,21H,1-2H3,(H,22,23)
InChIKeyHXHZHOCWNQRSIM-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.19
Rot. Bonds3

About 5-(2,6-dimethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylic acid

5-(2,6-dimethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylic acid (PubChem CID 175311463) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 5-(2,6-dimethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,6-dimethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylic acid
PubChem CID175311463
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name5-(2,6-dimethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylic acid
SMILESCc1cccc(C)c1C1NN=C(c2ccccc2F)C1C(=O)O
InChIInChI=1S/C18H17FN2O2/c1-10-6-5-7-11(2)14(10)17-15(18(22)23)16(20-21-17)12-8-3-4-9-13(12)19/h3-9,15,17,21H,1-2H3,(H,22,23)
InChIKeyHXHZHOCWNQRSIM-UHFFFAOYSA-N
XLogP3.19
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2,6-dimethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-4-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 5-(2,6-dimethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(2,6-dimethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylic acid (CID 175311463) is 5-(2,6-dimethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(2,6-dimethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(2,6-dimethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylic acid is Cc1cccc(C)c1C1NN=C(c2ccccc2F)C1C(=O)O.
What is the InChIKey of 5-(2,6-dimethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylic acid?
The InChIKey is HXHZHOCWNQRSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-10-6-5-7-11(2)14(10)17-15(18(22)23)16(20-21-17)12-8-3-4-9-13(12)19/h3-9,15,17,21H,1-2H3,(H,22,23).
What are the key properties of 5-(2,6-dimethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylic acid?
5-(2,6-dimethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylic acid has a molecular weight of 312.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 175311463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).