[2-(2-benzylanilino)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate

C26H24N4O3 — CID 55648975

IUPAC[2-(2-benzylanilino)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCCc1c(C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)cnn1-c1ccccn1
InChIInChI=1S/C26H24N4O3/c1-2-23-21(17-28-30(23)24-14-8-9-15-27-24)26(32)33-18-25(31)29-22-13-7-6-12-20(22)16-19-10-4-3-5-11-19/h3-15,17H,2,16,18H2,1H3,(H,29,31)
InChIKeyXHNNDVRBTPCKDX-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.22
Rot. Bonds8

About [2-(2-benzylanilino)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate

[2-(2-benzylanilino)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate (PubChem CID 55648975) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is [2-(2-benzylanilino)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-(2-benzylanilino)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
PubChem CID55648975
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name[2-(2-benzylanilino)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCCc1c(C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)cnn1-c1ccccn1
InChIInChI=1S/C26H24N4O3/c1-2-23-21(17-28-30(23)24-14-8-9-15-27-24)26(32)33-18-25(31)29-22-13-7-6-12-20(22)16-19-10-4-3-5-11-19/h3-15,17H,2,16,18H2,1H3,(H,29,31)
InChIKeyXHNNDVRBTPCKDX-UHFFFAOYSA-N
XLogP4.22
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-benzylanilino)-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 46605439
ethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944198
[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641236
5-ethyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944173
(2-oxo-2-piperidin-1-ylethyl) 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55648945
[2-(2-methoxyanilino)-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 46605146
(4-benzylsulfanylphenyl)methyl 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 166336013
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 46605125
[2-(2-benzylanilino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 35308448
[2-(4-chloroanilino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641337
5-ethyl-N'-[2-(4-methylphenoxy)acetyl]-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 78867900
[2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2715820

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzylanilino)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The IUPAC name of [2-(2-benzylanilino)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate (CID 55648975) is [2-(2-benzylanilino)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for [2-(2-benzylanilino)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The canonical SMILES for [2-(2-benzylanilino)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate is CCc1c(C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)cnn1-c1ccccn1.
What is the InChIKey of [2-(2-benzylanilino)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The InChIKey is XHNNDVRBTPCKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-2-23-21(17-28-30(23)24-14-8-9-15-27-24)26(32)33-18-25(31)29-22-13-7-6-12-20(22)16-19-10-4-3-5-11-19/h3-15,17H,2,16,18H2,1H3,(H,29,31).
What are the key properties of [2-(2-benzylanilino)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate?
[2-(2-benzylanilino)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate has a molecular weight of 440.50 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzylanilino)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 55648975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).