2-[3,4-bis(4-methoxyphenyl)pyrazol-1-yl]ethanol

C19H20N2O3 — CID 1480554

IUPAC2-[3,4-bis(4-methoxyphenyl)pyrazol-1-yl]ethanol
SMILESCOc1ccc(-c2cn(CCO)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20N2O3/c1-23-16-7-3-14(4-8-16)18-13-21(11-12-22)20-19(18)15-5-9-17(24-2)10-6-15/h3-10,13,22H,11-12H2,1-2H3
InChIKeyXYXNUJZUBXHHMD-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.23
Rot. Bonds6

About 2-[3,4-bis(4-methoxyphenyl)pyrazol-1-yl]ethanol

2-[3,4-bis(4-methoxyphenyl)pyrazol-1-yl]ethanol (PubChem CID 1480554) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[3,4-bis(4-methoxyphenyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,4-bis(4-methoxyphenyl)pyrazol-1-yl]ethanol
PubChem CID1480554
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-[3,4-bis(4-methoxyphenyl)pyrazol-1-yl]ethanol
SMILESCOc1ccc(-c2cn(CCO)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20N2O3/c1-23-16-7-3-14(4-8-16)18-13-21(11-12-22)20-19(18)15-5-9-17(24-2)10-6-15/h3-10,13,22H,11-12H2,1-2H3
InChIKeyXYXNUJZUBXHHMD-UHFFFAOYSA-N
XLogP3.23
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 882911
[1-benzyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanol
CID 2496576
(1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl]-2-(4-methoxyphenyl)ethan-1-ol
CID 10002931
Tubulin inhibitor 1
CID 137319628
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
N-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-propylpiperidin-4-amine
CID 16190345
2-(3-{2-[(4-fluorobenzyl)oxy]phenyl}-1H-pyrazol-1-yl)-1-ethanol
CID 1485523
3-[1-benzyl-3-(2-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid
CID 2526129
3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6898261
[1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-methoxybenzyl)piperidin-4-yl]methanol
CID 16188468
[4-(4-Methoxyphenyl)-1-phenylpyrazol-3-yl]methanol
CID 2512462
Acetic acid, [3-[2-(3,4-diphenyl-1H-pyrazol-1-yl)ethyl]phenoxy]-
CID 10000925

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(4-methoxyphenyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,4-bis(4-methoxyphenyl)pyrazol-1-yl]ethanol (CID 1480554) is 2-[3,4-bis(4-methoxyphenyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,4-bis(4-methoxyphenyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,4-bis(4-methoxyphenyl)pyrazol-1-yl]ethanol is COc1ccc(-c2cn(CCO)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[3,4-bis(4-methoxyphenyl)pyrazol-1-yl]ethanol?
The InChIKey is XYXNUJZUBXHHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-23-16-7-3-14(4-8-16)18-13-21(11-12-22)20-19(18)15-5-9-17(24-2)10-6-15/h3-10,13,22H,11-12H2,1-2H3.
What are the key properties of 2-[3,4-bis(4-methoxyphenyl)pyrazol-1-yl]ethanol?
2-[3,4-bis(4-methoxyphenyl)pyrazol-1-yl]ethanol has a molecular weight of 324.38 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(4-methoxyphenyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 1480554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).