2-[2-(3-methoxy-1H-pyrazol-5-yl)-4-phenylmethoxyphenoxy]propan-1-ol

C20H22N2O4 — CID 67489493

IUPAC2-[2-(3-methoxy-1H-pyrazol-5-yl)-4-phenylmethoxyphenoxy]propan-1-ol
SMILESCOc1cc(-c2cc(OCc3ccccc3)ccc2OC(C)CO)[nH]n1
InChIInChI=1S/C20H22N2O4/c1-14(12-23)26-19-9-8-16(25-13-15-6-4-3-5-7-15)10-17(19)18-11-20(24-2)22-21-18/h3-11,14,23H,12-13H2,1-2H3,(H,21,22)
InChIKeyBKXWUZHWAWLYRB-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.42
Rot. Bonds8

About 2-[2-(3-methoxy-1H-pyrazol-5-yl)-4-phenylmethoxyphenoxy]propan-1-ol

2-[2-(3-methoxy-1H-pyrazol-5-yl)-4-phenylmethoxyphenoxy]propan-1-ol (PubChem CID 67489493) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[2-(3-methoxy-1H-pyrazol-5-yl)-4-phenylmethoxyphenoxy]propan-1-ol.

Molecular Properties

Compound Name2-[2-(3-methoxy-1H-pyrazol-5-yl)-4-phenylmethoxyphenoxy]propan-1-ol
PubChem CID67489493
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-[2-(3-methoxy-1H-pyrazol-5-yl)-4-phenylmethoxyphenoxy]propan-1-ol
SMILESCOc1cc(-c2cc(OCc3ccccc3)ccc2OC(C)CO)[nH]n1
InChIInChI=1S/C20H22N2O4/c1-14(12-23)26-19-9-8-16(25-13-15-6-4-3-5-7-15)10-17(19)18-11-20(24-2)22-21-18/h3-11,14,23H,12-13H2,1-2H3,(H,21,22)
InChIKeyBKXWUZHWAWLYRB-UHFFFAOYSA-N
XLogP3.42
TPSA76.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(3-methoxy-1H-pyrazol-5-yl)-4-phenylmethoxyphenoxy]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(1R)-1-(2-methoxy-5-phenylmethoxyphenyl)ethoxy]propan-1-ol
CID 10663217
5-(5-methoxy-2-phenylmethoxyphenyl)-1H-pyrazole
CID 57432903
(2-methoxy-5-phenylmethoxyphenyl)boronic acid
CID 75537210
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
2-chloro-4-phenylmethoxy-1-propan-2-yloxybenzene
CID 50888763
5-[(2S)-1-methoxypropan-2-yl]oxy-2-phenylmethoxybenzoic acid
CID 67487058
CID 123516675
CID 123516675
2-phenyl-5-phenylmethoxyphenol
CID 123808909
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol
CID 2022938
1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine
CID 170864797
2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid
CID 10709345

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxy-1H-pyrazol-5-yl)-4-phenylmethoxyphenoxy]propan-1-ol?
The IUPAC name of 2-[2-(3-methoxy-1H-pyrazol-5-yl)-4-phenylmethoxyphenoxy]propan-1-ol (CID 67489493) is 2-[2-(3-methoxy-1H-pyrazol-5-yl)-4-phenylmethoxyphenoxy]propan-1-ol.
What is the SMILES notation for 2-[2-(3-methoxy-1H-pyrazol-5-yl)-4-phenylmethoxyphenoxy]propan-1-ol?
The canonical SMILES for 2-[2-(3-methoxy-1H-pyrazol-5-yl)-4-phenylmethoxyphenoxy]propan-1-ol is COc1cc(-c2cc(OCc3ccccc3)ccc2OC(C)CO)[nH]n1.
What is the InChIKey of 2-[2-(3-methoxy-1H-pyrazol-5-yl)-4-phenylmethoxyphenoxy]propan-1-ol?
The InChIKey is BKXWUZHWAWLYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14(12-23)26-19-9-8-16(25-13-15-6-4-3-5-7-15)10-17(19)18-11-20(24-2)22-21-18/h3-11,14,23H,12-13H2,1-2H3,(H,21,22).
What are the key properties of 2-[2-(3-methoxy-1H-pyrazol-5-yl)-4-phenylmethoxyphenoxy]propan-1-ol?
2-[2-(3-methoxy-1H-pyrazol-5-yl)-4-phenylmethoxyphenoxy]propan-1-ol has a molecular weight of 354.41 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxy-1H-pyrazol-5-yl)-4-phenylmethoxyphenoxy]propan-1-ol is sourced from PubChem (CID 67489493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).