methyl 4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)oxybenzoate

C21H16N4O3 — CID 47079750

IUPACmethyl 4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)oxybenzoate
SMILESCOC(=O)c1ccc(Oc2cc(-n3cccn3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H16N4O3/c1-27-21(26)16-8-10-17(11-9-16)28-19-14-18(25-13-5-12-22-25)23-20(24-19)15-6-3-2-4-7-15/h2-14H,1H3
InChIKeyINKXBUGSWMMTMG-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.91
Rot. Bonds5

About methyl 4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)oxybenzoate

methyl 4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)oxybenzoate (PubChem CID 47079750) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is methyl 4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)oxybenzoate
PubChem CID47079750
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Namemethyl 4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)oxybenzoate
SMILESCOC(=O)c1ccc(Oc2cc(-n3cccn3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H16N4O3/c1-27-21(26)16-8-10-17(11-9-16)28-19-14-18(25-13-5-12-22-25)23-20(24-19)15-6-3-2-4-7-15/h2-14H,1H3
InChIKeyINKXBUGSWMMTMG-UHFFFAOYSA-N
XLogP3.91
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)oxybenzoate
CID 23827389
methyl 4-(4-phenylphenoxy)benzoate
CID 15230373
4-fluoro-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309974
methyl 4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzoate
CID 1383405
4-acetyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122310235
methyl 4-[[4,6-bis(4-methoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3094623
N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-phenylbutanamide
CID 122310017
1-(3,5-dimethylphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122310044
N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropanecarboxamide
CID 122310015
1-(4-ethoxyphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122310042
N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine
CID 796113
anisole;methyl 4-methoxybenzoate
CID 158093995

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)oxybenzoate?
The IUPAC name of methyl 4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)oxybenzoate (CID 47079750) is methyl 4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)oxybenzoate.
What is the SMILES notation for methyl 4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)oxybenzoate?
The canonical SMILES for methyl 4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)oxybenzoate is COC(=O)c1ccc(Oc2cc(-n3cccn3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of methyl 4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)oxybenzoate?
The InChIKey is INKXBUGSWMMTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c1-27-21(26)16-8-10-17(11-9-16)28-19-14-18(25-13-5-12-22-25)23-20(24-19)15-6-3-2-4-7-15/h2-14H,1H3.
What are the key properties of methyl 4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)oxybenzoate?
methyl 4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)oxybenzoate has a molecular weight of 372.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)oxybenzoate is sourced from PubChem (CID 47079750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).