(2S)-2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]propanoic acid

C15H18N2O4 — CID 125435430

IUPAC(2S)-2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]propanoic acid
SMILESCOc1cc(C)cc(OC)c1-c1cnn([C@@H](C)C(=O)O)c1
InChIInChI=1S/C15H18N2O4/c1-9-5-12(20-3)14(13(6-9)21-4)11-7-16-17(8-11)10(2)15(18)19/h5-8,10H,1-4H3,(H,18,19)/t10-/m0/s1
InChIKeyZRBYFFOQFWNSNV-JTQLQIEISA-N
MW290.32 g/mol
LogP2.52
Rot. Bonds5

About (2S)-2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]propanoic acid

(2S)-2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]propanoic acid (PubChem CID 125435430) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2S)-2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]propanoic acid
PubChem CID125435430
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(2S)-2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]propanoic acid
SMILESCOc1cc(C)cc(OC)c1-c1cnn([C@@H](C)C(=O)O)c1
InChIInChI=1S/C15H18N2O4/c1-9-5-12(20-3)14(13(6-9)21-4)11-7-16-17(8-11)10(2)15(18)19/h5-8,10H,1-4H3,(H,18,19)/t10-/m0/s1
InChIKeyZRBYFFOQFWNSNV-JTQLQIEISA-N
XLogP2.52
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-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

Related Compounds

2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]acetamide
CID 122571639
(2S)-2-(4-chloropyrazol-1-yl)propanoic acid
CID 7026118
(2S)-2-[4-(3-chlorophenyl)pyrazol-1-yl]propanoic acid
CID 97034148
(2S)-2-[4-(4-fluorophenyl)pyrazol-1-yl]propanoic acid
CID 97034160
(2R)-2-[4-(3-fluorophenyl)pyrazol-1-yl]propanoic acid
CID 97034163
2-[4-(2-fluorophenyl)pyrazol-1-yl]propanoic acid
CID 102547350
2-(4-carbamoylpyrazol-1-yl)propanoic acid
CID 19623315
(2S)-2-[4-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrazol-1-yl]propanoic acid
CID 171864431
2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propanoic acid
CID 154636349
2-[4-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502866
2-[4-[(4-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19622155
(2S)-2-[4-(2-carboxyethenyl)pyrazol-1-yl]propanoic acid
CID 169460668

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of (2S)-2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]propanoic acid (CID 125435430) is (2S)-2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for (2S)-2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]propanoic acid is COc1cc(C)cc(OC)c1-c1cnn([C@@H](C)C(=O)O)c1.
What is the InChIKey of (2S)-2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]propanoic acid?
The InChIKey is ZRBYFFOQFWNSNV-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9-5-12(20-3)14(13(6-9)21-4)11-7-16-17(8-11)10(2)15(18)19/h5-8,10H,1-4H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]propanoic acid?
(2S)-2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]propanoic acid has a molecular weight of 290.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2,6-dimethoxy-4-methylphenyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 125435430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).