(4-pyrazol-1-ylphenyl)methyl 4-(4-hydroxyphenyl)benzoate

C23H18N2O3 — CID 16571182

IUPAC(4-pyrazol-1-ylphenyl)methyl 4-(4-hydroxyphenyl)benzoate
SMILESO=C(OCc1ccc(-n2cccn2)cc1)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C23H18N2O3/c26-22-12-8-19(9-13-22)18-4-6-20(7-5-18)23(27)28-16-17-2-10-21(11-3-17)25-15-1-14-24-25/h1-15,26H,16H2
InChIKeyKSFIQVJBLYPHBI-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.60
Rot. Bonds5

About (4-pyrazol-1-ylphenyl)methyl 4-(4-hydroxyphenyl)benzoate

(4-pyrazol-1-ylphenyl)methyl 4-(4-hydroxyphenyl)benzoate (PubChem CID 16571182) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is (4-pyrazol-1-ylphenyl)methyl 4-(4-hydroxyphenyl)benzoate.

Molecular Properties

Compound Name(4-pyrazol-1-ylphenyl)methyl 4-(4-hydroxyphenyl)benzoate
PubChem CID16571182
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name(4-pyrazol-1-ylphenyl)methyl 4-(4-hydroxyphenyl)benzoate
SMILESO=C(OCc1ccc(-n2cccn2)cc1)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C23H18N2O3/c26-22-12-8-19(9-13-22)18-4-6-20(7-5-18)23(27)28-16-17-2-10-21(11-3-17)25-15-1-14-24-25/h1-15,26H,16H2
InChIKeyKSFIQVJBLYPHBI-UHFFFAOYSA-N
XLogP4.60
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 40767413
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CID 27831699
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Frequently Asked Questions

What is the IUPAC name of (4-pyrazol-1-ylphenyl)methyl 4-(4-hydroxyphenyl)benzoate?
The IUPAC name of (4-pyrazol-1-ylphenyl)methyl 4-(4-hydroxyphenyl)benzoate (CID 16571182) is (4-pyrazol-1-ylphenyl)methyl 4-(4-hydroxyphenyl)benzoate.
What is the SMILES notation for (4-pyrazol-1-ylphenyl)methyl 4-(4-hydroxyphenyl)benzoate?
The canonical SMILES for (4-pyrazol-1-ylphenyl)methyl 4-(4-hydroxyphenyl)benzoate is O=C(OCc1ccc(-n2cccn2)cc1)c1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of (4-pyrazol-1-ylphenyl)methyl 4-(4-hydroxyphenyl)benzoate?
The InChIKey is KSFIQVJBLYPHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c26-22-12-8-19(9-13-22)18-4-6-20(7-5-18)23(27)28-16-17-2-10-21(11-3-17)25-15-1-14-24-25/h1-15,26H,16H2.
What are the key properties of (4-pyrazol-1-ylphenyl)methyl 4-(4-hydroxyphenyl)benzoate?
(4-pyrazol-1-ylphenyl)methyl 4-(4-hydroxyphenyl)benzoate has a molecular weight of 370.41 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazol-1-ylphenyl)methyl 4-(4-hydroxyphenyl)benzoate is sourced from PubChem (CID 16571182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).