2-[(1-benzylpyrazol-4-yl)oxymethyl]phenol

C17H16N2O2 — CID 117234046

IUPAC2-[(1-benzylpyrazol-4-yl)oxymethyl]phenol
SMILESOc1ccccc1COc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H16N2O2/c20-17-9-5-4-8-15(17)13-21-16-10-18-19(12-16)11-14-6-2-1-3-7-14/h1-10,12,20H,11,13H2
InChIKeyXCUCAGMDOUSDRH-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.22
Rot. Bonds5

About 2-[(1-benzylpyrazol-4-yl)oxymethyl]phenol

2-[(1-benzylpyrazol-4-yl)oxymethyl]phenol (PubChem CID 117234046) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[(1-benzylpyrazol-4-yl)oxymethyl]phenol.

Molecular Properties

Compound Name2-[(1-benzylpyrazol-4-yl)oxymethyl]phenol
PubChem CID117234046
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-[(1-benzylpyrazol-4-yl)oxymethyl]phenol
SMILESOc1ccccc1COc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H16N2O2/c20-17-9-5-4-8-15(17)13-21-16-10-18-19(12-16)11-14-6-2-1-3-7-14/h1-10,12,20H,11,13H2
InChIKeyXCUCAGMDOUSDRH-UHFFFAOYSA-N
XLogP3.22
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1-benzylpyrazol-4-yl)oxymethyl]phenol 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

2-[(1-phenylpyrazol-4-yl)oxymethyl]phenol
CID 117234052
1-[(2-hydroxyphenyl)methyl]pyrazol-4-ol
CID 117124791
1-benzyl-4-(oxan-4-ylmethoxy)pyrazole
CID 117233849
4-[(2-bromophenyl)methoxy]-1-ethylpyrazole
CID 116804675
1-benzyl-4-(2-fluorophenoxy)pyrazole
CID 117234109
1-benzyl-4-(2-methoxyphenoxy)pyrazole
CID 117234112
1-benzyl-4-thiophen-2-yloxypyrazole
CID 117233985
1-benzyl-4-(oxan-3-ylmethoxy)pyrazole
CID 117233963
methyl 2-[(1-ethylpyrazol-4-yl)oxymethyl]benzoate
CID 116800061
1-methyl-4-phenylmethoxypyrazole
CID 84661432
4-[(2-bromophenyl)methoxy]-1-(2,2,2-trifluoroethyl)pyrazole
CID 155907462
benzyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 33494359

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpyrazol-4-yl)oxymethyl]phenol?
The IUPAC name of 2-[(1-benzylpyrazol-4-yl)oxymethyl]phenol (CID 117234046) is 2-[(1-benzylpyrazol-4-yl)oxymethyl]phenol.
What is the SMILES notation for 2-[(1-benzylpyrazol-4-yl)oxymethyl]phenol?
The canonical SMILES for 2-[(1-benzylpyrazol-4-yl)oxymethyl]phenol is Oc1ccccc1COc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 2-[(1-benzylpyrazol-4-yl)oxymethyl]phenol?
The InChIKey is XCUCAGMDOUSDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-17-9-5-4-8-15(17)13-21-16-10-18-19(12-16)11-14-6-2-1-3-7-14/h1-10,12,20H,11,13H2.
What are the key properties of 2-[(1-benzylpyrazol-4-yl)oxymethyl]phenol?
2-[(1-benzylpyrazol-4-yl)oxymethyl]phenol has a molecular weight of 280.33 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpyrazol-4-yl)oxymethyl]phenol is sourced from PubChem (CID 117234046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).