2-bromo-5-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]benzamide

C22H18BrN5O3 — CID 136636669

IUPAC2-bromo-5-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cc(-c3ccccc3)nn2-c2nc(C)cc(=O)[nH]2)c1
InChIInChI=1S/C22H18BrN5O3/c1-13-10-20(29)26-22(24-13)28-19(12-18(27-28)14-6-4-3-5-7-14)25-21(30)16-11-15(31-2)8-9-17(16)23/h3-12H,1-2H3,(H,25,30)(H,24,26,29)
InChIKeyCWNZONHMTWJATN-UHFFFAOYSA-N
MW480.32 g/mol
LogP3.95
Rot. Bonds5

About 2-bromo-5-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]benzamide

2-bromo-5-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]benzamide (PubChem CID 136636669) has the molecular formula C22H18BrN5O3 and a molecular weight of 480.32 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]benzamide
PubChem CID136636669
Molecular FormulaC22H18BrN5O3
Molecular Weight480.32 g/mol
Exact Mass479.06
IUPAC Name2-bromo-5-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cc(-c3ccccc3)nn2-c2nc(C)cc(=O)[nH]2)c1
InChIInChI=1S/C22H18BrN5O3/c1-13-10-20(29)26-22(24-13)28-19(12-18(27-28)14-6-4-3-5-7-14)25-21(30)16-11-15(31-2)8-9-17(16)23/h3-12H,1-2H3,(H,25,30)(H,24,26,29)
InChIKeyCWNZONHMTWJATN-UHFFFAOYSA-N
XLogP3.95
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.32
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-5-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136636632
3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]pyrazole-4-carboxamide
CID 136636678
2-bromo-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135870137
4-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752921
N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-methoxybenzamide
CID 136606146
1-ethyl-7-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 136636653
2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752917
2-(2-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]acetamide
CID 136636673
N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-dimethoxybenzamide
CID 136606153
2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752929
N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide
CID 135752996
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide
CID 135753068

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]benzamide (CID 136636669) is 2-bromo-5-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]benzamide is COc1ccc(Br)c(C(=O)Nc2cc(-c3ccccc3)nn2-c2nc(C)cc(=O)[nH]2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]benzamide?
The InChIKey is CWNZONHMTWJATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN5O3/c1-13-10-20(29)26-22(24-13)28-19(12-18(27-28)14-6-4-3-5-7-14)25-21(30)16-11-15(31-2)8-9-17(16)23/h3-12H,1-2H3,(H,25,30)(H,24,26,29).
What are the key properties of 2-bromo-5-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]benzamide?
2-bromo-5-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]benzamide has a molecular weight of 480.32 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]benzamide is sourced from PubChem (CID 136636669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).