2-(3-methylphenyl)-3-[1-(4-methylphenyl)pyrazol-3-yl]propanoic acid

C20H20N2O2 — CID 142851704

IUPAC2-(3-methylphenyl)-3-[1-(4-methylphenyl)pyrazol-3-yl]propanoic acid
SMILESCc1ccc(-n2ccc(CC(C(=O)O)c3cccc(C)c3)n2)cc1
InChIInChI=1S/C20H20N2O2/c1-14-6-8-18(9-7-14)22-11-10-17(21-22)13-19(20(23)24)16-5-3-4-15(2)12-16/h3-12,19H,13H2,1-2H3,(H,23,24)
InChIKeyZEDWIFGGOOSWMD-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.90
Rot. Bonds5

About 2-(3-methylphenyl)-3-[1-(4-methylphenyl)pyrazol-3-yl]propanoic acid

2-(3-methylphenyl)-3-[1-(4-methylphenyl)pyrazol-3-yl]propanoic acid (PubChem CID 142851704) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(3-methylphenyl)-3-[1-(4-methylphenyl)pyrazol-3-yl]propanoic acid.

Molecular Properties

Compound Name2-(3-methylphenyl)-3-[1-(4-methylphenyl)pyrazol-3-yl]propanoic acid
PubChem CID142851704
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-(3-methylphenyl)-3-[1-(4-methylphenyl)pyrazol-3-yl]propanoic acid
SMILESCc1ccc(-n2ccc(CC(C(=O)O)c3cccc(C)c3)n2)cc1
InChIInChI=1S/C20H20N2O2/c1-14-6-8-18(9-7-14)22-11-10-17(21-22)13-19(20(23)24)16-5-3-4-15(2)12-16/h3-12,19H,13H2,1-2H3,(H,23,24)
InChIKeyZEDWIFGGOOSWMD-UHFFFAOYSA-N
XLogP3.90
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)propanoic acid
CID 82870176
2-(3-methylphenyl)-3-[1-(4-methylphenyl)-5-[4-[methyl(propan-2-yl)amino]phenyl]pyrazol-3-yl]propanoic acid
CID 22171016
3-[5-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid
CID 11743963
3-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid;2-methylprop-2-enyl-[(Z)-prop-1-enyl]azanium
CID 142851657
3-[1-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid
CID 59984404
3-[5-[(2Z,4E)-3-chloro-5-[ethyl(methyl)amino]hepta-2,4-dien-2-yl]-1-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid
CID 143164167
2-(3-methylphenyl)-3-trimethylsilylpropanoic acid
CID 106322983
3-[1-(4-hydroxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanamide
CID 142851628
3-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2-(3-methylphenyl)propanoic acid
CID 11212033
3-[1-(3,4-dichlorophenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(3-iodophenyl)propanoic acid
CID 10370933
3-(2-bromophenyl)-2-(3-methylphenyl)propanoic acid
CID 79435789
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)propanoic acid
CID 79431571

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-3-[1-(4-methylphenyl)pyrazol-3-yl]propanoic acid?
The IUPAC name of 2-(3-methylphenyl)-3-[1-(4-methylphenyl)pyrazol-3-yl]propanoic acid (CID 142851704) is 2-(3-methylphenyl)-3-[1-(4-methylphenyl)pyrazol-3-yl]propanoic acid.
What is the SMILES notation for 2-(3-methylphenyl)-3-[1-(4-methylphenyl)pyrazol-3-yl]propanoic acid?
The canonical SMILES for 2-(3-methylphenyl)-3-[1-(4-methylphenyl)pyrazol-3-yl]propanoic acid is Cc1ccc(-n2ccc(CC(C(=O)O)c3cccc(C)c3)n2)cc1.
What is the InChIKey of 2-(3-methylphenyl)-3-[1-(4-methylphenyl)pyrazol-3-yl]propanoic acid?
The InChIKey is ZEDWIFGGOOSWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14-6-8-18(9-7-14)22-11-10-17(21-22)13-19(20(23)24)16-5-3-4-15(2)12-16/h3-12,19H,13H2,1-2H3,(H,23,24).
What are the key properties of 2-(3-methylphenyl)-3-[1-(4-methylphenyl)pyrazol-3-yl]propanoic acid?
2-(3-methylphenyl)-3-[1-(4-methylphenyl)pyrazol-3-yl]propanoic acid has a molecular weight of 320.39 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-3-[1-(4-methylphenyl)pyrazol-3-yl]propanoic acid is sourced from PubChem (CID 142851704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).