[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate

C23H19N5O3 — CID 7985543

IUPAC[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESCc1ccc(-c2cc(NC(=O)COC(=O)c3cnccn3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H19N5O3/c1-16-7-9-17(10-8-16)19-13-21(28(27-19)18-5-3-2-4-6-18)26-22(29)15-31-23(30)20-14-24-11-12-25-20/h2-14H,15H2,1H3,(H,26,29)
InChIKeyJSZBQCBQOBMXBN-UHFFFAOYSA-N
MW413.44 g/mol
LogP3.43
Rot. Bonds6

About [2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate

[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 7985543) has the molecular formula C23H19N5O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is [2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID7985543
Molecular FormulaC23H19N5O3
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC Name[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESCc1ccc(-c2cc(NC(=O)COC(=O)c3cnccn3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H19N5O3/c1-16-7-9-17(10-8-16)19-13-21(28(27-19)18-5-3-2-4-6-18)26-22(29)15-31-23(30)20-14-24-11-12-25-20/h2-14H,15H2,1H3,(H,26,29)
InChIKeyJSZBQCBQOBMXBN-UHFFFAOYSA-N
XLogP3.43
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 16522577
[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 46641122
[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 3-methylbut-2-enoate
CID 8893423
2-O-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505614
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 4847057
[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 7985794
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 55552560
N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide
CID 134800103
[2-oxo-2-[[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]amino]ethyl] 2-hydroxybenzoate
CID 2423143
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 4783344
[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate
CID 30404395
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 27727925

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate (CID 7985543) is [2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate is Cc1ccc(-c2cc(NC(=O)COC(=O)c3cnccn3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of [2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is JSZBQCBQOBMXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3/c1-16-7-9-17(10-8-16)19-13-21(28(27-19)18-5-3-2-4-6-18)26-22(29)15-31-23(30)20-14-24-11-12-25-20/h2-14H,15H2,1H3,(H,26,29).
What are the key properties of [2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 413.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 7985543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).