2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol

C24H22N2O5 — CID 135652394

IUPAC2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol
SMILESCOc1ccc(COc2ccc(-c3[nH]ncc3Oc3ccccc3OC)c(O)c2)cc1
InChIInChI=1S/C24H22N2O5/c1-28-17-9-7-16(8-10-17)15-30-18-11-12-19(20(27)13-18)24-23(14-25-26-24)31-22-6-4-3-5-21(22)29-2/h3-14,27H,15H2,1-2H3,(H,25,26)
InChIKeySFNMAPXTTRPLRH-UHFFFAOYSA-N
MW418.45 g/mol
LogP5.17
Rot. Bonds8

About 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol

2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol (PubChem CID 135652394) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol.

Molecular Properties

Compound Name2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol
PubChem CID135652394
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol
SMILESCOc1ccc(COc2ccc(-c3[nH]ncc3Oc3ccccc3OC)c(O)c2)cc1
InChIInChI=1S/C24H22N2O5/c1-28-17-9-7-16(8-10-17)15-30-18-11-12-19(20(27)13-18)24-23(14-25-26-24)31-22-6-4-3-5-21(22)29-2/h3-14,27H,15H2,1-2H3,(H,25,26)
InChIKeySFNMAPXTTRPLRH-UHFFFAOYSA-N
XLogP5.17
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.45
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol?
The IUPAC name of 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol (CID 135652394) is 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol.
What is the SMILES notation for 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol?
The canonical SMILES for 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol is COc1ccc(COc2ccc(-c3[nH]ncc3Oc3ccccc3OC)c(O)c2)cc1.
What is the InChIKey of 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol?
The InChIKey is SFNMAPXTTRPLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-28-17-9-7-16(8-10-17)15-30-18-11-12-19(20(27)13-18)24-23(14-25-26-24)31-22-6-4-3-5-21(22)29-2/h3-14,27H,15H2,1-2H3,(H,25,26).
What are the key properties of 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol?
2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol has a molecular weight of 418.45 g/mol, XLogP of 5.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol is sourced from PubChem (CID 135652394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).