[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate

C24H21N5O5 — CID 2358734

IUPAC[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
SMILESCn1c(N)c(C(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C24H21N5O5/c1-27-21(25)19(22(31)28(2)24(27)33)18(30)14-34-23(32)17-13-29(16-11-7-4-8-12-16)26-20(17)15-9-5-3-6-10-15/h3-13H,14,25H2,1-2H3
InChIKeyQNFAUSNXQQRGPD-UHFFFAOYSA-N
MW459.46 g/mol
LogP1.56
Rot. Bonds6

About [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate (PubChem CID 2358734) has the molecular formula C24H21N5O5 and a molecular weight of 459.46 g/mol. Its IUPAC name is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
PubChem CID2358734
Molecular FormulaC24H21N5O5
Molecular Weight459.46 g/mol
Exact Mass459.15
IUPAC Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
SMILESCn1c(N)c(C(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C24H21N5O5/c1-27-21(25)19(22(31)28(2)24(27)33)18(30)14-34-23(32)17-13-29(16-11-7-4-8-12-16)26-20(17)15-9-5-3-6-10-15/h3-13H,14,25H2,1-2H3
InChIKeyQNFAUSNXQQRGPD-UHFFFAOYSA-N
XLogP1.56
TPSA131.21 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.46
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate with MolForge

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Related Compounds

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 2362092
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 2115643
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 8653888
(1,3-dioxoisoindol-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate
CID 3882566
[2-(methylamino)-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 8908453
[2-(butylamino)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2434472
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2403299
(2-amino-2-oxoethyl) 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
CID 2580785
(3,3-dimethyl-2-oxobutyl) 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate
CID 7842156
[2-(cyclopropylamino)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2580715
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-phenoxybenzoate
CID 2469228
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 8743973

Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate?
The IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate (CID 2358734) is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate.
What is the SMILES notation for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate?
The canonical SMILES for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate is Cn1c(N)c(C(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)n(C)c1=O.
What is the InChIKey of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate?
The InChIKey is QNFAUSNXQQRGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O5/c1-27-21(25)19(22(31)28(2)24(27)33)18(30)14-34-23(32)17-13-29(16-11-7-4-8-12-16)26-20(17)15-9-5-3-6-10-15/h3-13H,14,25H2,1-2H3.
What are the key properties of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate?
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate has a molecular weight of 459.46 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate is sourced from PubChem (CID 2358734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).