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

C19H17ClN2O2 — CID 54099322

IUPACethyl 2-(5-chloro-1,3-diphenylpyrazol-4-yl)acetate
SMILESCCOC(=O)Cc1c(-c2ccccc2)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C19H17ClN2O2/c1-2-24-17(23)13-16-18(14-9-5-3-6-10-14)21-22(19(16)20)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKeyMZKXPGKHRLGALP-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.30
Rot. Bonds5

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

ethyl 2-(5-chloro-1,3-diphenylpyrazol-4-yl)acetate (PubChem CID 54099322) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is ethyl 2-(5-chloro-1,3-diphenylpyrazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-chloro-1,3-diphenylpyrazol-4-yl)acetate
PubChem CID54099322
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Nameethyl 2-(5-chloro-1,3-diphenylpyrazol-4-yl)acetate
SMILESCCOC(=O)Cc1c(-c2ccccc2)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C19H17ClN2O2/c1-2-24-17(23)13-16-18(14-9-5-3-6-10-14)21-22(19(16)20)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKeyMZKXPGKHRLGALP-UHFFFAOYSA-N
XLogP4.30
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetate
CID 54487147
4-(2-ethoxy-2-oxoethyl)-1,5-diphenylpyrazole-3-carboxylic acid
CID 59581391
3-(5-chloro-1,3-diphenylpyrazol-4-yl)propan-1-ol
CID 170887609
ethyl 2-(4,5-diphenyltriazol-2-yl)acetate
CID 59363121
5-chloro-4-methyl-1,3-diphenylpyrazole
CID 104847504
2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethanimidamide;hydrochloride
CID 21418346
2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 54421262
ethyl 2-(4-chloro-5-methyl-3-phenylpyrazol-1-yl)acetate
CID 59813948
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-(2-ethoxyphenoxy)acetate
CID 9194177
ethyl 2-[[1,3-diphenyl-5-[(E)-2-phenylethenyl]pyrazole-4-carbonyl]amino]acetate
CID 175238109
ethyl 2-(6-chloro-7-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)acetate
CID 10735152
ethyl 5-butan-2-yl-1,3-diphenylpyrazole-4-carboxylate
CID 102030318

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-chloro-1,3-diphenylpyrazol-4-yl)acetate?
The IUPAC name of ethyl 2-(5-chloro-1,3-diphenylpyrazol-4-yl)acetate (CID 54099322) is ethyl 2-(5-chloro-1,3-diphenylpyrazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(5-chloro-1,3-diphenylpyrazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(5-chloro-1,3-diphenylpyrazol-4-yl)acetate is CCOC(=O)Cc1c(-c2ccccc2)nn(-c2ccccc2)c1Cl.
What is the InChIKey of ethyl 2-(5-chloro-1,3-diphenylpyrazol-4-yl)acetate?
The InChIKey is MZKXPGKHRLGALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-2-24-17(23)13-16-18(14-9-5-3-6-10-14)21-22(19(16)20)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3.
What are the key properties of ethyl 2-(5-chloro-1,3-diphenylpyrazol-4-yl)acetate?
ethyl 2-(5-chloro-1,3-diphenylpyrazol-4-yl)acetate has a molecular weight of 340.81 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-chloro-1,3-diphenylpyrazol-4-yl)acetate is sourced from PubChem (CID 54099322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).