4-[5-(2-ethoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid

C22H24N2O3 — CID 110160796

IUPAC4-[5-(2-ethoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid
SMILESCCOc1ccccc1-c1cc(-c2ccc(C(=O)O)cc2)nn1CC(C)C
InChIInChI=1S/C22H24N2O3/c1-4-27-21-8-6-5-7-18(21)20-13-19(23-24(20)14-15(2)3)16-9-11-17(12-10-16)22(25)26/h5-13,15H,4,14H2,1-3H3,(H,25,26)
InChIKeyZQROEAYIJZKZAH-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.97
Rot. Bonds7

About 4-[5-(2-ethoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid

4-[5-(2-ethoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid (PubChem CID 110160796) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[5-(2-ethoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-(2-ethoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid
PubChem CID110160796
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name4-[5-(2-ethoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid
SMILESCCOc1ccccc1-c1cc(-c2ccc(C(=O)O)cc2)nn1CC(C)C
InChIInChI=1S/C22H24N2O3/c1-4-27-21-8-6-5-7-18(21)20-13-19(23-24(20)14-15(2)3)16-9-11-17(12-10-16)22(25)26/h5-13,15H,4,14H2,1-3H3,(H,25,26)
InChIKeyZQROEAYIJZKZAH-UHFFFAOYSA-N
XLogP4.97
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]-4-propoxyphenyl]acetic acid
CID 110160776
4-[5-(4-fluorophenyl)-1-[(2S)-2-hydroxybutyl]pyrazol-3-yl]benzoic acid
CID 124953512
4-amino-6-(2-ethoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82467618
2-[4-methoxy-3-[5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]phenyl]acetic acid
CID 110160779
3-[5-(3-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]-4-(2-methylpropoxy)benzoic acid
CID 110160763
4-ethoxy-3-[5-(3-fluorophenyl)-1-[(2S)-2-hydroxybutyl]pyrazol-3-yl]benzoic acid
CID 124959672
3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid
CID 84761108
4-butoxy-3-[1-butyl-5-(2-methoxyphenyl)pyrazol-3-yl]benzoic acid
CID 110076723
3-(1-benzyl-5-phenylpyrazol-3-yl)-4-(2-methylpropoxy)benzoic acid
CID 110076737
4-[4-(4-carboxyphenyl)-2,5-diethoxyphenyl]benzoic acid
CID 122385640
6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid
CID 82444987
2-[2-[5-(4-chlorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]-4,5-difluorophenoxy]acetic acid
CID 110161502

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-ethoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid?
The IUPAC name of 4-[5-(2-ethoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid (CID 110160796) is 4-[5-(2-ethoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid.
What is the SMILES notation for 4-[5-(2-ethoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid?
The canonical SMILES for 4-[5-(2-ethoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid is CCOc1ccccc1-c1cc(-c2ccc(C(=O)O)cc2)nn1CC(C)C.
What is the InChIKey of 4-[5-(2-ethoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid?
The InChIKey is ZQROEAYIJZKZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-27-21-8-6-5-7-18(21)20-13-19(23-24(20)14-15(2)3)16-9-11-17(12-10-16)22(25)26/h5-13,15H,4,14H2,1-3H3,(H,25,26).
What are the key properties of 4-[5-(2-ethoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid?
4-[5-(2-ethoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid has a molecular weight of 364.45 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-ethoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid is sourced from PubChem (CID 110160796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).