2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-[(2-fluorophenyl)methoxy]phenol

C24H21FN2O4 — CID 1414748

IUPAC2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-[(2-fluorophenyl)methoxy]phenol
SMILESCOc1ccc(-c2cn[nH]c2-c2ccc(OCc3ccccc3F)cc2O)cc1OC
InChIInChI=1S/C24H21FN2O4/c1-29-22-10-7-15(11-23(22)30-2)19-13-26-27-24(19)18-9-8-17(12-21(18)28)31-14-16-5-3-4-6-20(16)25/h3-13,28H,14H2,1-2H3,(H,26,27)
InChIKeyXOHAQDFCNKFVHL-UHFFFAOYSA-N
MW420.44 g/mol
LogP5.18
Rot. Bonds7

About 2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-[(2-fluorophenyl)methoxy]phenol

2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-[(2-fluorophenyl)methoxy]phenol (PubChem CID 1414748) has the molecular formula C24H21FN2O4 and a molecular weight of 420.44 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-[(2-fluorophenyl)methoxy]phenol.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-[(2-fluorophenyl)methoxy]phenol
PubChem CID1414748
Molecular FormulaC24H21FN2O4
Molecular Weight420.44 g/mol
Exact Mass420.15
IUPAC Name2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-[(2-fluorophenyl)methoxy]phenol
SMILESCOc1ccc(-c2cn[nH]c2-c2ccc(OCc3ccccc3F)cc2O)cc1OC
InChIInChI=1S/C24H21FN2O4/c1-29-22-10-7-15(11-23(22)30-2)19-13-26-27-24(19)18-9-8-17(12-21(18)28)31-14-16-5-3-4-6-20(16)25/h3-13,28H,14H2,1-2H3,(H,26,27)
InChIKeyXOHAQDFCNKFVHL-UHFFFAOYSA-N
XLogP5.18
TPSA76.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.44
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-fluorophenyl)methoxy]-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol
CID 1387328
2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol
CID 663570
2-[4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(2-fluorophenyl)methoxy]phenol
CID 135652185
5-[(3,4-dichlorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 135651484
5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 135652165
5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 135651228
4-[(2-fluorophenyl)methoxy]-2-methoxyphenol
CID 174834287
5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 945537
2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol
CID 135832308
4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141185580
5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403158
5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol
CID 3647867

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-[(2-fluorophenyl)methoxy]phenol?
The IUPAC name of 2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-[(2-fluorophenyl)methoxy]phenol (CID 1414748) is 2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-[(2-fluorophenyl)methoxy]phenol.
What is the SMILES notation for 2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-[(2-fluorophenyl)methoxy]phenol?
The canonical SMILES for 2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-[(2-fluorophenyl)methoxy]phenol is COc1ccc(-c2cn[nH]c2-c2ccc(OCc3ccccc3F)cc2O)cc1OC.
What is the InChIKey of 2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-[(2-fluorophenyl)methoxy]phenol?
The InChIKey is XOHAQDFCNKFVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O4/c1-29-22-10-7-15(11-23(22)30-2)19-13-26-27-24(19)18-9-8-17(12-21(18)28)31-14-16-5-3-4-6-20(16)25/h3-13,28H,14H2,1-2H3,(H,26,27).
What are the key properties of 2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-[(2-fluorophenyl)methoxy]phenol?
2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-[(2-fluorophenyl)methoxy]phenol has a molecular weight of 420.44 g/mol, XLogP of 5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-[(2-fluorophenyl)methoxy]phenol is sourced from PubChem (CID 1414748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).