2-[2-ethyl-5-hydroxy-4-[4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-5-yl]phenoxy]propanoic acid

C18H19N3O4S — CID 135700192

IUPAC2-[2-ethyl-5-hydroxy-4-[4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-5-yl]phenoxy]propanoic acid
SMILESCCc1cc(-c2[nH]ncc2-c2nc(C)cs2)c(O)cc1OC(C)C(=O)O
InChIInChI=1S/C18H19N3O4S/c1-4-11-5-12(14(22)6-15(11)25-10(3)18(23)24)16-13(7-19-21-16)17-20-9(2)8-26-17/h5-8,10,22H,4H2,1-3H3,(H,19,21)(H,23,24)
InChIKeyYHVDZIAISDRVID-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.63
Rot. Bonds6

About 2-[2-ethyl-5-hydroxy-4-[4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-5-yl]phenoxy]propanoic acid

2-[2-ethyl-5-hydroxy-4-[4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-5-yl]phenoxy]propanoic acid (PubChem CID 135700192) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-[2-ethyl-5-hydroxy-4-[4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-5-yl]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-ethyl-5-hydroxy-4-[4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-5-yl]phenoxy]propanoic acid
PubChem CID135700192
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name2-[2-ethyl-5-hydroxy-4-[4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-5-yl]phenoxy]propanoic acid
SMILESCCc1cc(-c2[nH]ncc2-c2nc(C)cs2)c(O)cc1OC(C)C(=O)O
InChIInChI=1S/C18H19N3O4S/c1-4-11-5-12(14(22)6-15(11)25-10(3)18(23)24)16-13(7-19-21-16)17-20-9(2)8-26-17/h5-8,10,22H,4H2,1-3H3,(H,19,21)(H,23,24)
InChIKeyYHVDZIAISDRVID-UHFFFAOYSA-N
XLogP3.63
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-ethyl-5-hydroxy-4-[4-(2-methyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]phenoxy]propanoic acid
CID 135736758
4-ethyl-5-methoxy-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]phenol
CID 854960
2-[2-(5-methyl-1H-pyrazol-4-yl)phenoxy]propanoic acid
CID 122571803
(2S)-2-[2-chloro-4-(5-methyl-1H-pyrazol-4-yl)phenoxy]propanoic acid
CID 125440098
4-ethyl-6-[5-(1,3-thiazol-4-yl)-1H-pyrazol-4-yl]benzene-1,3-diol
CID 58948835
4-[[[(2R)-2-[6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxochromen-7-yl]oxypropanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 124931868
ethyl (2S)-2-[3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-6-propylchromen-7-yl]oxypropanoate
CID 7344780
2-[[2-[6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxochromen-7-yl]oxyacetyl]amino]-3-methylbutanoic acid
CID 91927916
(2S)-2-(1H-indazol-4-yloxy)propanoic acid
CID 137347017
ethyl 2-[6-ethyl-4-oxo-3-(4-phenyl-1,3-thiazol-2-yl)chromen-7-yl]oxypropanoate
CID 4018235
2-[[2-[6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxochromen-7-yl]oxyacetyl]amino]butanoic acid
CID 91927915
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoic acid
CID 79159018

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-5-hydroxy-4-[4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-5-yl]phenoxy]propanoic acid?
The IUPAC name of 2-[2-ethyl-5-hydroxy-4-[4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-5-yl]phenoxy]propanoic acid (CID 135700192) is 2-[2-ethyl-5-hydroxy-4-[4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-5-yl]phenoxy]propanoic acid.
What is the SMILES notation for 2-[2-ethyl-5-hydroxy-4-[4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-5-yl]phenoxy]propanoic acid?
The canonical SMILES for 2-[2-ethyl-5-hydroxy-4-[4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-5-yl]phenoxy]propanoic acid is CCc1cc(-c2[nH]ncc2-c2nc(C)cs2)c(O)cc1OC(C)C(=O)O.
What is the InChIKey of 2-[2-ethyl-5-hydroxy-4-[4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-5-yl]phenoxy]propanoic acid?
The InChIKey is YHVDZIAISDRVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-4-11-5-12(14(22)6-15(11)25-10(3)18(23)24)16-13(7-19-21-16)17-20-9(2)8-26-17/h5-8,10,22H,4H2,1-3H3,(H,19,21)(H,23,24).
What are the key properties of 2-[2-ethyl-5-hydroxy-4-[4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-5-yl]phenoxy]propanoic acid?
2-[2-ethyl-5-hydroxy-4-[4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-5-yl]phenoxy]propanoic acid has a molecular weight of 373.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-5-hydroxy-4-[4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-5-yl]phenoxy]propanoic acid is sourced from PubChem (CID 135700192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).