1-phenyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea

C20H16N6O2 — CID 122309674

IUPAC1-phenyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(Oc2cc(-n3cccn3)ncn2)cc1
InChIInChI=1S/C20H16N6O2/c27-20(24-15-5-2-1-3-6-15)25-16-7-9-17(10-8-16)28-19-13-18(21-14-22-19)26-12-4-11-23-26/h1-14H,(H2,24,25,27)
InChIKeyDUZZRAPZXIZLDL-UHFFFAOYSA-N
MW372.39 g/mol
LogP4.10
Rot. Bonds5

About 1-phenyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea

1-phenyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea (PubChem CID 122309674) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 1-phenyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
PubChem CID122309674
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC Name1-phenyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(Oc2cc(-n3cccn3)ncn2)cc1
InChIInChI=1S/C20H16N6O2/c27-20(24-15-5-2-1-3-6-15)25-16-7-9-17(10-8-16)28-19-13-18(21-14-22-19)26-12-4-11-23-26/h1-14H,(H2,24,25,27)
InChIKeyDUZZRAPZXIZLDL-UHFFFAOYSA-N
XLogP4.10
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chlorophenyl)-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309662
1-(3-chloro-4-methylphenyl)-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309646
1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 122309727
(E)-3-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide
CID 122309615
4-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide
CID 122309612
4-iodo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309931
5-bromo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]pyridine-3-carboxamide
CID 122309753
3-fluoro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309820
2-chloro-6-fluoro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309602
3-nitro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309934
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309788
1-(4-ethoxyphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122310042

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea?
The IUPAC name of 1-phenyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea (CID 122309674) is 1-phenyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea.
What is the SMILES notation for 1-phenyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea?
The canonical SMILES for 1-phenyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea is O=C(Nc1ccccc1)Nc1ccc(Oc2cc(-n3cccn3)ncn2)cc1.
What is the InChIKey of 1-phenyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea?
The InChIKey is DUZZRAPZXIZLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c27-20(24-15-5-2-1-3-6-15)25-16-7-9-17(10-8-16)28-19-13-18(21-14-22-19)26-12-4-11-23-26/h1-14H,(H2,24,25,27).
What are the key properties of 1-phenyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea?
1-phenyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea has a molecular weight of 372.39 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea is sourced from PubChem (CID 122309674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).