4-[2-[3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]-2-methoxyphenol

C21H24N2O4 — CID 14578497

IUPAC4-[2-[3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]-2-methoxyphenol
SMILESCOc1cc(CCc2cc(CCc3ccc(O)c(OC)c3)[nH]n2)ccc1O
InChIInChI=1S/C21H24N2O4/c1-26-20-11-14(5-9-18(20)24)3-7-16-13-17(23-22-16)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-13,24-25H,3-4,7-8H2,1-2H3,(H,22,23)
InChIKeyVOARGTPHOPZXSJ-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.41
Rot. Bonds8

About 4-[2-[3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]-2-methoxyphenol

4-[2-[3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]-2-methoxyphenol (PubChem CID 14578497) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-[2-[3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[2-[3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]-2-methoxyphenol
PubChem CID14578497
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-[2-[3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]-2-methoxyphenol
SMILESCOc1cc(CCc2cc(CCc3ccc(O)c(OC)c3)[nH]n2)ccc1O
InChIInChI=1S/C21H24N2O4/c1-26-20-11-14(5-9-18(20)24)3-7-16-13-17(23-22-16)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-13,24-25H,3-4,7-8H2,1-2H3,(H,22,23)
InChIKeyVOARGTPHOPZXSJ-UHFFFAOYSA-N
XLogP3.41
TPSA87.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]phenol
CID 14578498
4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol
CID 10845923
ethane;2-methoxy-4-propylphenol
CID 144852330
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 75393426
4-(aminomethyl)-2-methoxyphenol;hydrobromide
CID 68756614
bis[2-(4-hydroxy-3-methoxyphenyl)ethyl] hydrogen phosphate
CID 164613132
4-[3-(2-hydroxyethoxy)propyl]-2-methoxyphenol
CID 11356573
1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one
CID 71334151
4-(fluoromethyl)-2-methoxyphenol
CID 84650348
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
4-(iodomethyl)-2-methoxyphenol
CID 15255516

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]-2-methoxyphenol?
The IUPAC name of 4-[2-[3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]-2-methoxyphenol (CID 14578497) is 4-[2-[3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[2-[3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[2-[3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]-2-methoxyphenol is COc1cc(CCc2cc(CCc3ccc(O)c(OC)c3)[nH]n2)ccc1O.
What is the InChIKey of 4-[2-[3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]-2-methoxyphenol?
The InChIKey is VOARGTPHOPZXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-20-11-14(5-9-18(20)24)3-7-16-13-17(23-22-16)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-13,24-25H,3-4,7-8H2,1-2H3,(H,22,23).
What are the key properties of 4-[2-[3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]-2-methoxyphenol?
4-[2-[3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]-2-methoxyphenol has a molecular weight of 368.43 g/mol, XLogP of 3.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]-2-methoxyphenol is sourced from PubChem (CID 14578497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).