2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanol

C20H22N2O2 — CID 45485612

IUPAC2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanol
SMILESCOc1ccc(Cn2nc(C)cc2CC(O)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O2/c1-15-12-18(13-20(23)17-6-4-3-5-7-17)22(21-15)14-16-8-10-19(24-2)11-9-16/h3-12,20,23H,13-14H2,1-2H3
InChIKeyBFDXRASMNJEAAN-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.52
Rot. Bonds6

About 2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanol

2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanol (PubChem CID 45485612) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanol
PubChem CID45485612
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanol
SMILESCOc1ccc(Cn2nc(C)cc2CC(O)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O2/c1-15-12-18(13-20(23)17-6-4-3-5-7-17)22(21-15)14-16-8-10-19(24-2)11-9-16/h3-12,20,23H,13-14H2,1-2H3
InChIKeyBFDXRASMNJEAAN-UHFFFAOYSA-N
XLogP3.52
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 23377749
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 5300709
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 115816490
1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 39891220
5-(3-chloro-2-methyl-3-phenylpropyl)-1-ethyl-3-methylpyrazole
CID 113460182
methyl 1-benzyl-5-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate
CID 145427559
1-(2,5-dimethylpyrazol-3-yl)-4-(4-methoxyphenyl)butan-2-ol
CID 115811610
1-(4-methoxyphenyl)-2-(3-methylphenyl)ethanol
CID 60798818
N-(1-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 17052773
1-(4-methoxyphenyl)-3-methyl-5-(2-phenylethyl)pyrazole
CID 15505631
1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82295045
2-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-1-phenylethanol
CID 46006776

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanol?
The IUPAC name of 2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanol (CID 45485612) is 2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanol.
What is the SMILES notation for 2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanol?
The canonical SMILES for 2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanol is COc1ccc(Cn2nc(C)cc2CC(O)c2ccccc2)cc1.
What is the InChIKey of 2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanol?
The InChIKey is BFDXRASMNJEAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15-12-18(13-20(23)17-6-4-3-5-7-17)22(21-15)14-16-8-10-19(24-2)11-9-16/h3-12,20,23H,13-14H2,1-2H3.
What are the key properties of 2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanol?
2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanol has a molecular weight of 322.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanol is sourced from PubChem (CID 45485612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).