N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide

C25H26N6O5 — CID 16561096

IUPACN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOCCn1c(N)c(N(Cc2ccccc2)C(=O)c2nn(-c3ccccc3)cc2OC)c(=O)[nH]c1=O
InChIInChI=1S/C25H26N6O5/c1-35-14-13-29-22(26)21(23(32)27-25(29)34)30(15-17-9-5-3-6-10-17)24(33)20-19(36-2)16-31(28-20)18-11-7-4-8-12-18/h3-12,16H,13-15,26H2,1-2H3,(H,27,32,34)
InChIKeyIZSOGRBJXQYMCA-UHFFFAOYSA-N
MW490.52 g/mol
LogP1.81
Rot. Bonds9

About N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide

N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide (PubChem CID 16561096) has the molecular formula C25H26N6O5 and a molecular weight of 490.52 g/mol. Its IUPAC name is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide
PubChem CID16561096
Molecular FormulaC25H26N6O5
Molecular Weight490.52 g/mol
Exact Mass490.20
IUPAC NameN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOCCn1c(N)c(N(Cc2ccccc2)C(=O)c2nn(-c3ccccc3)cc2OC)c(=O)[nH]c1=O
InChIInChI=1S/C25H26N6O5/c1-35-14-13-29-22(26)21(23(32)27-25(29)34)30(15-17-9-5-3-6-10-17)24(33)20-19(36-2)16-31(28-20)18-11-7-4-8-12-18/h3-12,16H,13-15,26H2,1-2H3,(H,27,32,34)
InChIKeyIZSOGRBJXQYMCA-UHFFFAOYSA-N
XLogP1.81
TPSA137.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(1-methylpyrazol-3-yl)acetamide
CID 166207619
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-(difluoromethoxy)-3-methoxybenzamide
CID 26118391
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-1,3-benzothiazole-6-carboxamide
CID 16548940
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,5-difluorobenzamide
CID 55375335
(E)-N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-phenylprop-2-enamide
CID 7998169
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylpentanamide
CID 31301943
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-nitrobenzamide
CID 4847794
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 43035654
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,2-dichlorocyclopropane-1-carboxamide
CID 42906790
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-methyl-3-nitrobenzamide
CID 26118483
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(pyrimidin-2-ylamino)benzamide
CID 25333279
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-(cyclopropanecarbonylamino)benzamide
CID 55335336

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide (CID 16561096) is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide is COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2nn(-c3ccccc3)cc2OC)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is IZSOGRBJXQYMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O5/c1-35-14-13-29-22(26)21(23(32)27-25(29)34)30(15-17-9-5-3-6-10-17)24(33)20-19(36-2)16-31(28-20)18-11-7-4-8-12-18/h3-12,16H,13-15,26H2,1-2H3,(H,27,32,34).
What are the key properties of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide?
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 490.52 g/mol, XLogP of 1.81, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 16561096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).