(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate

C22H20N4O3 — CID 18130445

IUPAC(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate
SMILESCCc1nnc(COC(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)o1
InChIInChI=1S/C22H20N4O3/c1-3-19-23-24-20(29-19)14-28-22(27)18-13-26(17-11-9-15(2)10-12-17)25-21(18)16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3
InChIKeyMFTNZISGYSYRJX-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.15
Rot. Bonds6

About (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate

(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate (PubChem CID 18130445) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate
PubChem CID18130445
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate
SMILESCCc1nnc(COC(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)o1
InChIInChI=1S/C22H20N4O3/c1-3-19-23-24-20(29-19)14-28-22(27)18-13-26(17-11-9-15(2)10-12-17)25-21(18)16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3
InChIKeyMFTNZISGYSYRJX-UHFFFAOYSA-N
XLogP4.15
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide;propanoic acid
CID 175080965
3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2360724
[2-(methylamino)-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 8908453
(2-amino-2-oxoethyl) 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate
CID 7726954
(1,3-dioxoisoindol-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate
CID 3882566
3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl chloride
CID 12965031
[2-(methylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 7847187
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 2593655
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 8743973
3-(4-methylphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide
CID 155553556
[2-(butylamino)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2434472
(2-amino-2-oxoethyl) 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
CID 2580785

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate?
The IUPAC name of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate (CID 18130445) is (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate.
What is the SMILES notation for (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate?
The canonical SMILES for (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate is CCc1nnc(COC(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)o1.
What is the InChIKey of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate?
The InChIKey is MFTNZISGYSYRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-3-19-23-24-20(29-19)14-28-22(27)18-13-26(17-11-9-15(2)10-12-17)25-21(18)16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3.
What are the key properties of (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate?
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate has a molecular weight of 388.43 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 18130445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).