2-[5-methoxy-2-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]ethanol

C20H22N2O2 — CID 171934504

IUPAC2-[5-methoxy-2-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]ethanol
SMILESCOc1ccc(-c2cnn(CCc3ccccc3)c2)c(CCO)c1
InChIInChI=1S/C20H22N2O2/c1-24-19-7-8-20(17(13-19)10-12-23)18-14-21-22(15-18)11-9-16-5-3-2-4-6-16/h2-8,13-15,23H,9-12H2,1H3
InChIKeyQLPQAHBBWWLTDM-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.34
Rot. Bonds7

About 2-[5-methoxy-2-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]ethanol

2-[5-methoxy-2-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]ethanol (PubChem CID 171934504) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[5-methoxy-2-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[5-methoxy-2-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]ethanol
PubChem CID171934504
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-[5-methoxy-2-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]ethanol
SMILESCOc1ccc(-c2cnn(CCc3ccccc3)c2)c(CCO)c1
InChIInChI=1S/C20H22N2O2/c1-24-19-7-8-20(17(13-19)10-12-23)18-14-21-22(15-18)11-9-16-5-3-2-4-6-16/h2-8,13-15,23H,9-12H2,1H3
InChIKeyQLPQAHBBWWLTDM-UHFFFAOYSA-N
XLogP3.34
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methoxy-2-methylphenyl)pyrazol-1-yl]ethanol
CID 56716387
2-[5-methoxy-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]ethanol
CID 171934515
2-(4-methoxyphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide
CID 95744739
4-(3-iodophenyl)-1-(2-phenylethyl)pyrazole
CID 79787501
2-[2-fluoro-4-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]acetic acid
CID 170835887
2-[4-[2-[(2-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]ethanol
CID 72908195
2-[4-(2,5-dimethoxyphenyl)pyrazol-1-yl]acetic acid
CID 82121885
1-[1-(2-phenylethyl)pyrazol-4-yl]ethanol
CID 62731819
4-[4-(4-methoxyphenyl)pyrazol-1-yl]butanoic acid
CID 139033660
4-(1-chloroethyl)-1-(2-phenylethyl)pyrazole
CID 62729657
1-benzyl-5-[(5-methoxy-2-phenylphenyl)methyl]pyridin-2-one
CID 25156915
3-[4-(3-phenylmethoxyphenyl)pyrazol-1-yl]propan-1-ol
CID 172649346

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]ethanol?
The IUPAC name of 2-[5-methoxy-2-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]ethanol (CID 171934504) is 2-[5-methoxy-2-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]ethanol.
What is the SMILES notation for 2-[5-methoxy-2-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]ethanol?
The canonical SMILES for 2-[5-methoxy-2-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]ethanol is COc1ccc(-c2cnn(CCc3ccccc3)c2)c(CCO)c1.
What is the InChIKey of 2-[5-methoxy-2-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]ethanol?
The InChIKey is QLPQAHBBWWLTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-24-19-7-8-20(17(13-19)10-12-23)18-14-21-22(15-18)11-9-16-5-3-2-4-6-16/h2-8,13-15,23H,9-12H2,1H3.
What are the key properties of 2-[5-methoxy-2-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]ethanol?
2-[5-methoxy-2-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]ethanol has a molecular weight of 322.41 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]ethanol is sourced from PubChem (CID 171934504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).