3-[4-[(7-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylpyrazol-1-yl]propanoic acid

C17H20N2O4 — CID 25125183

IUPAC3-[4-[(7-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylpyrazol-1-yl]propanoic acid
SMILESCc1nn(CCC(=O)O)c(C)c1Oc1ccc(O)c2c1CCC2
InChIInChI=1S/C17H20N2O4/c1-10-17(11(2)19(18-10)9-8-16(21)22)23-15-7-6-14(20)12-4-3-5-13(12)15/h6-7,20H,3-5,8-9H2,1-2H3,(H,21,22)
InChIKeyMTJXZJJMVLFLAL-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.96
Rot. Bonds5

About 3-[4-[(7-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylpyrazol-1-yl]propanoic acid

3-[4-[(7-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylpyrazol-1-yl]propanoic acid (PubChem CID 25125183) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[4-[(7-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylpyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(7-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylpyrazol-1-yl]propanoic acid
PubChem CID25125183
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name3-[4-[(7-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylpyrazol-1-yl]propanoic acid
SMILESCc1nn(CCC(=O)O)c(C)c1Oc1ccc(O)c2c1CCC2
InChIInChI=1S/C17H20N2O4/c1-10-17(11(2)19(18-10)9-8-16(21)22)23-15-7-6-14(20)12-4-3-5-13(12)15/h6-7,20H,3-5,8-9H2,1-2H3,(H,21,22)
InChIKeyMTJXZJJMVLFLAL-UHFFFAOYSA-N
XLogP2.96
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-[(7-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylpyrazol-1-yl]propanoic 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 3-[4-[(7-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylpyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[(7-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylpyrazol-1-yl]propanoic acid (CID 25125183) is 3-[4-[(7-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylpyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(7-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylpyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[(7-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylpyrazol-1-yl]propanoic acid is Cc1nn(CCC(=O)O)c(C)c1Oc1ccc(O)c2c1CCC2.
What is the InChIKey of 3-[4-[(7-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylpyrazol-1-yl]propanoic acid?
The InChIKey is MTJXZJJMVLFLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-10-17(11(2)19(18-10)9-8-16(21)22)23-15-7-6-14(20)12-4-3-5-13(12)15/h6-7,20H,3-5,8-9H2,1-2H3,(H,21,22).
What are the key properties of 3-[4-[(7-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylpyrazol-1-yl]propanoic acid?
3-[4-[(7-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylpyrazol-1-yl]propanoic acid has a molecular weight of 316.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(7-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethylpyrazol-1-yl]propanoic acid is sourced from PubChem (CID 25125183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).