(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate

C24H23N3O5 — CID 31133358

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate
SMILESCOc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)OCc2c(C)noc2C)c1
InChIInChI=1S/C24H23N3O5/c1-15-21(16(2)32-26-15)14-31-24(28)20-13-27(17-8-6-5-7-9-17)25-23(20)19-12-18(29-3)10-11-22(19)30-4/h5-13H,14H2,1-4H3
InChIKeyWPGOTKHNTYRAET-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.52
Rot. Bonds7

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate (PubChem CID 31133358) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate
PubChem CID31133358
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate
SMILESCOc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)OCc2c(C)noc2C)c1
InChIInChI=1S/C24H23N3O5/c1-15-21(16(2)32-26-15)14-31-24(28)20-13-27(17-8-6-5-7-9-17)25-23(20)19-12-18(29-3)10-11-22(19)30-4/h5-13H,14H2,1-4H3
InChIKeyWPGOTKHNTYRAET-UHFFFAOYSA-N
XLogP4.52
TPSA88.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 7684989
3-(2,5-dimethoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 17428753
3-(2,5-dimethoxyphenyl)-N-methyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 38560790
[(3S)-2-oxooxolan-3-yl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 7684985
(5-methyl-1,2-oxazol-3-yl)methyl 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 8955375
3-(2,5-dimethoxyphenyl)-N-[2-(2-methylphenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 52706502
[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402162
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2124287
tert-butyl 4-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-carboxylate
CID 55509279
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-hydroxy-3-methoxybenzoate
CID 18075732
3-(2,5-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 55657345
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 55644258

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate (CID 31133358) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate is COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)OCc2c(C)noc2C)c1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The InChIKey is WPGOTKHNTYRAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-15-21(16(2)32-26-15)14-31-24(28)20-13-27(17-8-6-5-7-9-17)25-23(20)19-12-18(29-3)10-11-22(19)30-4/h5-13H,14H2,1-4H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate has a molecular weight of 433.46 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 31133358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).