5-(5-methoxy-2-phenylmethoxyphenyl)-1H-pyrazole

C17H16N2O2 — CID 57432903

IUPAC5-(5-methoxy-2-phenylmethoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(OCc2ccccc2)c(-c2ccn[nH]2)c1
InChIInChI=1S/C17H16N2O2/c1-20-14-7-8-17(15(11-14)16-9-10-18-19-16)21-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,18,19)
InChIKeyNYZGHDGMZMIZAM-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.66
Rot. Bonds5

About 5-(5-methoxy-2-phenylmethoxyphenyl)-1H-pyrazole

5-(5-methoxy-2-phenylmethoxyphenyl)-1H-pyrazole (PubChem CID 57432903) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-(5-methoxy-2-phenylmethoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(5-methoxy-2-phenylmethoxyphenyl)-1H-pyrazole
PubChem CID57432903
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-(5-methoxy-2-phenylmethoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(OCc2ccccc2)c(-c2ccn[nH]2)c1
InChIInChI=1S/C17H16N2O2/c1-20-14-7-8-17(15(11-14)16-9-10-18-19-16)21-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,18,19)
InChIKeyNYZGHDGMZMIZAM-UHFFFAOYSA-N
XLogP3.66
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
CID 174629169
3-(2-fluoro-5-methoxyphenyl)-4-phenylmethoxyaniline
CID 169408820
2-ethynyl-4-methoxy-1-phenylmethoxybenzene
CID 154814757
[4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508461
5-[2-(4-methoxyphenyl)phenyl]-1H-pyrazole
CID 57232004
4-methoxy-2-[(E)-2-methoxyethenyl]-1-phenylmethoxybenzene
CID 101010762
2-ethynyl-4-methoxy-1-(2-phenylmethoxyphenyl)benzene
CID 168720092
2-[2-(3-methoxy-1H-pyrazol-5-yl)-4-phenylmethoxyphenoxy]propan-1-ol
CID 67489493
sodium 5-methoxy-2-phenylmethoxybenzenesulfonate
CID 112758476
(5-methoxy-2-phenylmethoxyphenyl)methyl-triphenylphosphanium
CID 122368996
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-(3-methoxy-4-phenylmethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 119110162

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-2-phenylmethoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-(5-methoxy-2-phenylmethoxyphenyl)-1H-pyrazole (CID 57432903) is 5-(5-methoxy-2-phenylmethoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(5-methoxy-2-phenylmethoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-(5-methoxy-2-phenylmethoxyphenyl)-1H-pyrazole is COc1ccc(OCc2ccccc2)c(-c2ccn[nH]2)c1.
What is the InChIKey of 5-(5-methoxy-2-phenylmethoxyphenyl)-1H-pyrazole?
The InChIKey is NYZGHDGMZMIZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-20-14-7-8-17(15(11-14)16-9-10-18-19-16)21-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,18,19).
What are the key properties of 5-(5-methoxy-2-phenylmethoxyphenyl)-1H-pyrazole?
5-(5-methoxy-2-phenylmethoxyphenyl)-1H-pyrazole has a molecular weight of 280.33 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-2-phenylmethoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 57432903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).