[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate

C22H18N4O3 — CID 55641236

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCc1c(C(=O)OCC(=O)Nc2cccc3ccccc23)cnn1-c1ccccn1
InChIInChI=1S/C22H18N4O3/c1-15-18(13-24-26(15)20-11-4-5-12-23-20)22(28)29-14-21(27)25-19-10-6-8-16-7-2-3-9-17(16)19/h2-13H,14H2,1H3,(H,25,27)
InChIKeyWZNLKTKZZVWRAQ-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.52
Rot. Bonds5

About [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate

[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate (PubChem CID 55641236) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
PubChem CID55641236
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCc1c(C(=O)OCC(=O)Nc2cccc3ccccc23)cnn1-c1ccccn1
InChIInChI=1S/C22H18N4O3/c1-15-18(13-24-26(15)20-11-4-5-12-23-20)22(28)29-14-21(27)25-19-10-6-8-16-7-2-3-9-17(16)19/h2-13H,14H2,1H3,(H,25,27)
InChIKeyWZNLKTKZZVWRAQ-UHFFFAOYSA-N
XLogP3.52
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641337
[2-(2-methoxyanilino)-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 46605146
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 46605125
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641208
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641393
[2-(2-benzylanilino)-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 46605439
[2-(2-benzylanilino)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55648975
[2-(N-methylanilino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55629523
[2-(2-chloroanilino)-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate
CID 18124031
methyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944141
(4-aminoquinazolin-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641210
[2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641099

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate (CID 55641236) is [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate is Cc1c(C(=O)OCC(=O)Nc2cccc3ccccc23)cnn1-c1ccccn1.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The InChIKey is WZNLKTKZZVWRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-15-18(13-24-26(15)20-11-4-5-12-23-20)22(28)29-14-21(27)25-19-10-6-8-16-7-2-3-9-17(16)19/h2-13H,14H2,1H3,(H,25,27).
What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate has a molecular weight of 386.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 55641236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).