2-[4-(4-ethoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid

C15H18N2O3 — CID 82488999

IUPAC2-[4-(4-ethoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid
SMILESCCOc1ccc(-c2c(C)nn(CC(=O)O)c2C)cc1
InChIInChI=1S/C15H18N2O3/c1-4-20-13-7-5-12(6-8-13)15-10(2)16-17(11(15)3)9-14(18)19/h5-8H,4,9H2,1-3H3,(H,18,19)
InChIKeyIUXKWQUCGPJDLF-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.65
Rot. Bonds5

About 2-[4-(4-ethoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid

2-[4-(4-ethoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid (PubChem CID 82488999) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid
PubChem CID82488999
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[4-(4-ethoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid
SMILESCCOc1ccc(-c2c(C)nn(CC(=O)O)c2C)cc1
InChIInChI=1S/C15H18N2O3/c1-4-20-13-7-5-12(6-8-13)15-10(2)16-17(11(15)3)9-14(18)19/h5-8H,4,9H2,1-3H3,(H,18,19)
InChIKeyIUXKWQUCGPJDLF-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-ethylsulfanylphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid
CID 39826171
3-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]propanoic acid
CID 82483431
2-[4-(2-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid
CID 82484377
2-[4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 50961339
2-(4-ethoxyphenoxy)ethyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate
CID 7869262
2-[4-[4-(difluoromethoxy)phenyl]-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid
CID 19625315
2-[4-(4-ethoxyphenyl)phenyl]acetic acid
CID 1394503
3-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-fluorophenyl]propanoic acid
CID 167971233
2-[4-(ethoxysulfamoyl)-3,5-dimethylpyrazol-1-yl]acetic acid
CID 64974053
ethyl 2-[5-(4-ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate
CID 7699556
2-[4-(4-cyclopentylphenyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 72855522
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide
CID 19337872

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-ethoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid (CID 82488999) is 2-[4-(4-ethoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid is CCOc1ccc(-c2c(C)nn(CC(=O)O)c2C)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid?
The InChIKey is IUXKWQUCGPJDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-20-13-7-5-12(6-8-13)15-10(2)16-17(11(15)3)9-14(18)19/h5-8H,4,9H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(4-ethoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid?
2-[4-(4-ethoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxyphenyl)-3,5-dimethylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 82488999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).