methyl 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetate

C20H20N2O2 — CID 10495935

IUPACmethyl 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetate
SMILESCCc1c(CC(=O)OC)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H20N2O2/c1-3-17-18(14-19(23)24-2)21-22(16-12-8-5-9-13-16)20(17)15-10-6-4-7-11-15/h4-13H,3,14H2,1-2H3
InChIKeyDKNGIMIYHWRHEU-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.82
Rot. Bonds5

About methyl 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetate

methyl 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetate (PubChem CID 10495935) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetate
PubChem CID10495935
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Namemethyl 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetate
SMILESCCc1c(CC(=O)OC)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H20N2O2/c1-3-17-18(14-19(23)24-2)21-22(16-12-8-5-9-13-16)20(17)15-10-6-4-7-11-15/h4-13H,3,14H2,1-2H3
InChIKeyDKNGIMIYHWRHEU-UHFFFAOYSA-N
XLogP3.82
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetate?
The IUPAC name of methyl 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetate (CID 10495935) is methyl 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetate.
What is the SMILES notation for methyl 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetate?
The canonical SMILES for methyl 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetate is CCc1c(CC(=O)OC)nn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of methyl 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetate?
The InChIKey is DKNGIMIYHWRHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-17-18(14-19(23)24-2)21-22(16-12-8-5-9-13-16)20(17)15-10-6-4-7-11-15/h4-13H,3,14H2,1-2H3.
What are the key properties of methyl 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetate?
methyl 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetate has a molecular weight of 320.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetate is sourced from PubChem (CID 10495935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).