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

C24H20N2O2 — CID 20542689

IUPACmethyl 2-(1,3,5-triphenylpyrazol-4-yl)acetate
SMILESCOC(=O)Cc1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H20N2O2/c1-28-22(27)17-21-23(18-11-5-2-6-12-18)25-26(20-15-9-4-10-16-20)24(21)19-13-7-3-8-14-19/h2-16H,17H2,1H3
InChIKeyLSOHWCHPEVCWKV-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.92
Rot. Bonds5

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

methyl 2-(1,3,5-triphenylpyrazol-4-yl)acetate (PubChem CID 20542689) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is methyl 2-(1,3,5-triphenylpyrazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1,3,5-triphenylpyrazol-4-yl)acetate
PubChem CID20542689
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Namemethyl 2-(1,3,5-triphenylpyrazol-4-yl)acetate
SMILESCOC(=O)Cc1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H20N2O2/c1-28-22(27)17-21-23(18-11-5-2-6-12-18)25-26(20-15-9-4-10-16-20)24(21)19-13-7-3-8-14-19/h2-16H,17H2,1H3
InChIKeyLSOHWCHPEVCWKV-UHFFFAOYSA-N
XLogP4.92
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3,5-triphenylpyrazol-4-yl)acetate?
The IUPAC name of methyl 2-(1,3,5-triphenylpyrazol-4-yl)acetate (CID 20542689) is methyl 2-(1,3,5-triphenylpyrazol-4-yl)acetate.
What is the SMILES notation for methyl 2-(1,3,5-triphenylpyrazol-4-yl)acetate?
The canonical SMILES for methyl 2-(1,3,5-triphenylpyrazol-4-yl)acetate is COC(=O)Cc1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of methyl 2-(1,3,5-triphenylpyrazol-4-yl)acetate?
The InChIKey is LSOHWCHPEVCWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-28-22(27)17-21-23(18-11-5-2-6-12-18)25-26(20-15-9-4-10-16-20)24(21)19-13-7-3-8-14-19/h2-16H,17H2,1H3.
What are the key properties of methyl 2-(1,3,5-triphenylpyrazol-4-yl)acetate?
methyl 2-(1,3,5-triphenylpyrazol-4-yl)acetate has a molecular weight of 368.44 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3,5-triphenylpyrazol-4-yl)acetate is sourced from PubChem (CID 20542689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).