2-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]ethanol

C13H16N2O2 — CID 123143670

IUPAC2-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]ethanol
SMILESCOc1ccc(Cc2cc(CCO)n[nH]2)cc1
InChIInChI=1S/C13H16N2O2/c1-17-13-4-2-10(3-5-13)8-12-9-11(6-7-16)14-15-12/h2-5,9,16H,6-8H2,1H3,(H,14,15)
InChIKeyZKRNLMBWYDDBJK-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.54
Rot. Bonds5

About 2-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]ethanol

2-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]ethanol (PubChem CID 123143670) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]ethanol
PubChem CID123143670
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]ethanol
SMILESCOc1ccc(Cc2cc(CCO)n[nH]2)cc1
InChIInChI=1S/C13H16N2O2/c1-17-13-4-2-10(3-5-13)8-12-9-11(6-7-16)14-15-12/h2-5,9,16H,6-8H2,1H3,(H,14,15)
InChIKeyZKRNLMBWYDDBJK-UHFFFAOYSA-N
XLogP1.54
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]but-1-ynyl]pyridine
CID 141317591
N,5-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 155753629
5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-sulfonamide
CID 175046479
2-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanol
CID 94268207
5-[(4-methoxyphenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide
CID 154693152
5-chloro-3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one
CID 117106835
[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol
CID 79600800
4-[2-[3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]-2-methoxyphenol
CID 14578497
5-[[4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrazol-3-amine
CID 90156722
5-[(4-methoxyphenyl)methyl]-N-(4-phenoxyphenyl)-1H-pyrazole-3-carboxamide
CID 154693127
2-[4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 103887327
6-(2-hydroxyethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]-N-methylpyridine-2-carboxamide
CID 134575688

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]ethanol?
The IUPAC name of 2-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]ethanol (CID 123143670) is 2-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]ethanol?
The canonical SMILES for 2-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]ethanol is COc1ccc(Cc2cc(CCO)n[nH]2)cc1.
What is the InChIKey of 2-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]ethanol?
The InChIKey is ZKRNLMBWYDDBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-17-13-4-2-10(3-5-13)8-12-9-11(6-7-16)14-15-12/h2-5,9,16H,6-8H2,1H3,(H,14,15).
What are the key properties of 2-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]ethanol?
2-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]ethanol has a molecular weight of 232.28 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]ethanol is sourced from PubChem (CID 123143670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).