4-[(E)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1-phenylpyrazole-3-carboxylic acid

C21H16N4O3 — CID 75465199

IUPAC4-[(E)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1-phenylpyrazole-3-carboxylic acid
SMILESCc1ccc(-c2nnc(/C=C/c3cn(-c4ccccc4)nc3C(=O)O)o2)cc1
InChIInChI=1S/C21H16N4O3/c1-14-7-9-15(10-8-14)20-23-22-18(28-20)12-11-16-13-25(24-19(16)21(26)27)17-5-3-2-4-6-17/h2-13H,1H3,(H,26,27)/b12-11+
InChIKeyGKFQNVWJMOQDMH-VAWYXSNFSA-N
MW372.38 g/mol
LogP4.10
Rot. Bonds5

About 4-[(E)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1-phenylpyrazole-3-carboxylic acid

4-[(E)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1-phenylpyrazole-3-carboxylic acid (PubChem CID 75465199) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 4-[(E)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1-phenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[(E)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1-phenylpyrazole-3-carboxylic acid
PubChem CID75465199
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name4-[(E)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1-phenylpyrazole-3-carboxylic acid
SMILESCc1ccc(-c2nnc(/C=C/c3cn(-c4ccccc4)nc3C(=O)O)o2)cc1
InChIInChI=1S/C21H16N4O3/c1-14-7-9-15(10-8-14)20-23-22-18(28-20)12-11-16-13-25(24-19(16)21(26)27)17-5-3-2-4-6-17/h2-13H,1H3,(H,26,27)/b12-11+
InChIKeyGKFQNVWJMOQDMH-VAWYXSNFSA-N
XLogP4.10
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3170416
2-(3,4-dimethoxyphenyl)-5-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-1,3,4-oxadiazole
CID 155816653
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 162787615
(E)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 80503569
(Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid
CID 2282682
3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1-phenylprop-2-en-1-one
CID 5064210
2-(4-chlorophenyl)-5-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole
CID 90643446
(E)-1-(4-methylphenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-en-1-one
CID 18228455
phenyl (Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
CID 2423672
(E)-3-[1,3-bis(4-methylphenyl)pyrazol-4-yl]-1-phenylprop-2-en-1-one
CID 118734043
3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2360724
(E)-3-[3-ethoxycarbonyl-1-(4-methylphenyl)pyrazol-4-yl]prop-2-enoic acid
CID 28811169

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1-phenylpyrazole-3-carboxylic acid?
The IUPAC name of 4-[(E)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1-phenylpyrazole-3-carboxylic acid (CID 75465199) is 4-[(E)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1-phenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-[(E)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1-phenylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-[(E)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1-phenylpyrazole-3-carboxylic acid is Cc1ccc(-c2nnc(/C=C/c3cn(-c4ccccc4)nc3C(=O)O)o2)cc1.
What is the InChIKey of 4-[(E)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1-phenylpyrazole-3-carboxylic acid?
The InChIKey is GKFQNVWJMOQDMH-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H16N4O3/c1-14-7-9-15(10-8-14)20-23-22-18(28-20)12-11-16-13-25(24-19(16)21(26)27)17-5-3-2-4-6-17/h2-13H,1H3,(H,26,27)/b12-11+.
What are the key properties of 4-[(E)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1-phenylpyrazole-3-carboxylic acid?
4-[(E)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1-phenylpyrazole-3-carboxylic acid has a molecular weight of 372.38 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1-phenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 75465199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).