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

C23H19FN2O4 — CID 1387328

IUPAC5-[(2-fluorophenyl)methoxy]-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol
SMILESCOc1ccccc1Oc1cn[nH]c1-c1ccc(OCc2ccccc2F)cc1O
InChIInChI=1S/C23H19FN2O4/c1-28-20-8-4-5-9-21(20)30-22-13-25-26-23(22)17-11-10-16(12-19(17)27)29-14-15-6-2-3-7-18(15)24/h2-13,27H,14H2,1H3,(H,25,26)
InChIKeyBWQLMGUXESEMNZ-UHFFFAOYSA-N
MW406.41 g/mol
LogP5.30
Rot. Bonds7

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

5-[(2-fluorophenyl)methoxy]-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol (PubChem CID 1387328) has the molecular formula C23H19FN2O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methoxy]-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methoxy]-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol
PubChem CID1387328
Molecular FormulaC23H19FN2O4
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC Name5-[(2-fluorophenyl)methoxy]-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol
SMILESCOc1ccccc1Oc1cn[nH]c1-c1ccc(OCc2ccccc2F)cc1O
InChIInChI=1S/C23H19FN2O4/c1-28-20-8-4-5-9-21(20)30-22-13-25-26-23(22)17-11-10-16(12-19(17)27)29-14-15-6-2-3-7-18(15)24/h2-13,27H,14H2,1H3,(H,25,26)
InChIKeyBWQLMGUXESEMNZ-UHFFFAOYSA-N
XLogP5.30
TPSA76.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.41
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-[(2-fluorophenyl)methoxy]phenol
CID 1414748
4-[(2-fluorophenyl)methoxy]-2-methoxyphenol
CID 174834287
2-[4-(2-bromophenoxy)-1H-pyrazol-5-yl]-5-phenylmethoxyphenol
CID 2009660
5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol
CID 764663
5-[(2-chlorophenyl)methoxy]-2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]phenol
CID 135719415
5-methoxy-2-[4-(2-propan-2-ylphenoxy)-1H-pyrazol-5-yl]phenol
CID 135840464
5-[(4-ethenylphenyl)methoxy]-2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]phenol
CID 135651504
2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol
CID 135832308
5-[(2,4-dichlorophenyl)methoxy]-2-[4-(2,5-dimethylphenoxy)-1H-pyrazol-5-yl]phenol
CID 135618857
2-[4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(2-fluorophenyl)methoxy]phenol
CID 135652185
6-(2-hydroxy-4-methoxyphenyl)-5-(2-methoxyphenoxy)-1H-pyrimidine-2-thione
CID 135657522
2-[3-hydroxy-4-(4-phenoxy-1H-pyrazol-5-yl)phenoxy]acetic acid
CID 919830

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methoxy]-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 5-[(2-fluorophenyl)methoxy]-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol (CID 1387328) is 5-[(2-fluorophenyl)methoxy]-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 5-[(2-fluorophenyl)methoxy]-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 5-[(2-fluorophenyl)methoxy]-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol is COc1ccccc1Oc1cn[nH]c1-c1ccc(OCc2ccccc2F)cc1O.
What is the InChIKey of 5-[(2-fluorophenyl)methoxy]-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol?
The InChIKey is BWQLMGUXESEMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4/c1-28-20-8-4-5-9-21(20)30-22-13-25-26-23(22)17-11-10-16(12-19(17)27)29-14-15-6-2-3-7-18(15)24/h2-13,27H,14H2,1H3,(H,25,26).
What are the key properties of 5-[(2-fluorophenyl)methoxy]-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol?
5-[(2-fluorophenyl)methoxy]-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol has a molecular weight of 406.41 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methoxy]-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 1387328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).