3-methoxy-2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)benzamide

C15H13N5O3 — CID 67453274

IUPAC3-methoxy-2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)benzamide
SMILESCOc1cccc(C(N)=O)c1-c1cnc(-n2cccn2)[nH]c1=O
InChIInChI=1S/C15H13N5O3/c1-23-11-5-2-4-9(13(16)21)12(11)10-8-17-15(19-14(10)22)20-7-3-6-18-20/h2-8H,1H3,(H2,16,21)(H,17,19,22)
InChIKeyHRYRQWDGRCROEC-UHFFFAOYSA-N
MW311.30 g/mol
LogP0.73
Rot. Bonds4

About 3-methoxy-2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)benzamide

3-methoxy-2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)benzamide (PubChem CID 67453274) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is 3-methoxy-2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)benzamide
PubChem CID67453274
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC Name3-methoxy-2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)benzamide
SMILESCOc1cccc(C(N)=O)c1-c1cnc(-n2cccn2)[nH]c1=O
InChIInChI=1S/C15H13N5O3/c1-23-11-5-2-4-9(13(16)21)12(11)10-8-17-15(19-14(10)22)20-7-3-6-18-20/h2-8H,1H3,(H2,16,21)(H,17,19,22)
InChIKeyHRYRQWDGRCROEC-UHFFFAOYSA-N
XLogP0.73
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenyl)-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)acetamide
CID 53493772
(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-tert-butylcarbamate
CID 53494452
[3-carbamoyl-2-(2-methoxyphenyl)phenyl] 2,2,2-trifluoroacetate
CID 143233935
N-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 71537025
2-phenylethyl N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamate
CID 67458571
2,3-dimethoxybenzamide;hydrate
CID 141005510
2-[(3-carbamoyl-2-pyridinyl)oxy]-3-methoxybenzoic acid
CID 61395782
2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-N-phenyl-N-propan-2-ylacetamide
CID 158179627
(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-phenylethyl)carbamate
CID 53494580
2-[(4-methoxyindol-1-yl)methyl]benzamide
CID 83165956
1-(2,3-dimethoxyphenyl)pyrazole
CID 90873377
(2-methylimidazol-1-yl) 2-methoxybenzoate
CID 56979486

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)benzamide?
The IUPAC name of 3-methoxy-2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)benzamide (CID 67453274) is 3-methoxy-2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)benzamide.
What is the SMILES notation for 3-methoxy-2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)benzamide?
The canonical SMILES for 3-methoxy-2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)benzamide is COc1cccc(C(N)=O)c1-c1cnc(-n2cccn2)[nH]c1=O.
What is the InChIKey of 3-methoxy-2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)benzamide?
The InChIKey is HRYRQWDGRCROEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3/c1-23-11-5-2-4-9(13(16)21)12(11)10-8-17-15(19-14(10)22)20-7-3-6-18-20/h2-8H,1H3,(H2,16,21)(H,17,19,22).
What are the key properties of 3-methoxy-2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)benzamide?
3-methoxy-2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)benzamide has a molecular weight of 311.30 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)benzamide is sourced from PubChem (CID 67453274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).