2-[1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-yl]phenol

C23H20N2O2 — CID 1038912

IUPAC2-[1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-yl]phenol
SMILESCOc1ccc(Cn2nc(-c3ccccc3)cc2-c2ccccc2O)cc1
InChIInChI=1S/C23H20N2O2/c1-27-19-13-11-17(12-14-19)16-25-22(20-9-5-6-10-23(20)26)15-21(24-25)18-7-3-2-4-8-18/h2-15,26H,16H2,1H3
InChIKeyBBFKLPMLOMKXOX-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.98
Rot. Bonds5

About 2-[1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-yl]phenol

2-[1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-yl]phenol (PubChem CID 1038912) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-yl]phenol
PubChem CID1038912
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name2-[1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-yl]phenol
SMILESCOc1ccc(Cn2nc(-c3ccccc3)cc2-c2ccccc2O)cc1
InChIInChI=1S/C23H20N2O2/c1-27-19-13-11-17(12-14-19)16-25-22(20-9-5-6-10-23(20)26)15-21(24-25)18-7-3-2-4-8-18/h2-15,26H,16H2,1H3
InChIKeyBBFKLPMLOMKXOX-UHFFFAOYSA-N
XLogP4.98
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Propyl pyrazole triol
CID 5040063
[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 882911
[1-benzyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanol
CID 2496576
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
2-(3-{2-[(4-fluorobenzyl)oxy]phenyl}-1H-pyrazol-1-yl)-1-ethanol
CID 1485523
3-[1-benzyl-3-(2-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid
CID 2526129
2-[5-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 4419144
[4-(4-Methoxyphenyl)-1-phenylpyrazol-3-yl]methanol
CID 2512462
Methyl-piperidino-pyrazole
CID 135484659
4-(5-(2,5-dimethylphenyl)-1-methyl-1H-pyrazol-3-yl)phenol
CID 135546507
4-[(E)-2-[1-benzyl-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol
CID 136505182
5-(4-Methoxyphenyl)-1,3-diphenyl-1H-pyrazole
CID 14532339

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-yl]phenol?
The IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-yl]phenol (CID 1038912) is 2-[1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-yl]phenol.
What is the SMILES notation for 2-[1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-yl]phenol?
The canonical SMILES for 2-[1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-yl]phenol is COc1ccc(Cn2nc(-c3ccccc3)cc2-c2ccccc2O)cc1.
What is the InChIKey of 2-[1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-yl]phenol?
The InChIKey is BBFKLPMLOMKXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-27-19-13-11-17(12-14-19)16-25-22(20-9-5-6-10-23(20)26)15-21(24-25)18-7-3-2-4-8-18/h2-15,26H,16H2,1H3.
What are the key properties of 2-[1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-yl]phenol?
2-[1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-yl]phenol has a molecular weight of 356.43 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-yl]phenol is sourced from PubChem (CID 1038912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).