2,4-dichloro-5-[4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol

C12H9Cl2F3N2O3 — CID 68710522

IUPAC2,4-dichloro-5-[4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol
SMILESCn1nc(C(F)(F)F)c(CO)c1Oc1cc(O)c(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2F3N2O3/c1-19-11(5(4-20)10(18-19)12(15,16)17)22-9-3-8(21)6(13)2-7(9)14/h2-3,20-21H,4H2,1H3
InChIKeyZMDINTNNVBHTHK-UHFFFAOYSA-N
MW357.12 g/mol
LogP3.74
Rot. Bonds3

About 2,4-dichloro-5-[4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol

2,4-dichloro-5-[4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol (PubChem CID 68710522) has the molecular formula C12H9Cl2F3N2O3 and a molecular weight of 357.12 g/mol. Its IUPAC name is 2,4-dichloro-5-[4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol.

Molecular Properties

Compound Name2,4-dichloro-5-[4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol
PubChem CID68710522
Molecular FormulaC12H9Cl2F3N2O3
Molecular Weight357.12 g/mol
Exact Mass355.99
IUPAC Name2,4-dichloro-5-[4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol
SMILESCn1nc(C(F)(F)F)c(CO)c1Oc1cc(O)c(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2F3N2O3/c1-19-11(5(4-20)10(18-19)12(15,16)17)22-9-3-8(21)6(13)2-7(9)14/h2-3,20-21H,4H2,1H3
InChIKeyZMDINTNNVBHTHK-UHFFFAOYSA-N
XLogP3.74
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.12
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-Chlorophenoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
CID 2773826
5-Trifluoromethyl-4-chloro-3-(3'-ethoxy-4-chlorophenoxy)-1-methylpyrazole
CID 19779914
5-Trifluoromethyl-4-chloro-3-(3'hydroxy-4'-chlorophenoxy)-1-methylpyrazole
CID 19779915
4-Chloro-3-(4-chloro-3-methoxyphenoxy)-1-methyl-5-(trifluoromethyl)pyrazole
CID 19779923
(2S)-2-[2,4-dichloro-5-[5-(difluoromethyl)-4-ethenyl-2-methylpyrazol-3-yl]oxyphenoxy]propanoic acid
CID 68708040
(2S)-2-[2,4-dichloro-5-[4-ethyl-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyphenoxy]propanoic acid
CID 68708345
2,4-Dichloro-5-[4-ethyl-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyphenol
CID 68708457
(2S)-2-[2,4-dichloro-5-[4-[(E)-2-cyanoethenyl]-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyphenoxy]propanoic acid
CID 68709699
(2S)-2-[2,4-dichloro-5-[4-(2-cyanoethenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenoxy]propanoic acid
CID 68709702
(2S)-2-[2,4-dichloro-5-[4-ethenyl-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyphenoxy]propanoic acid
CID 68709999
(2E)-3-[5-(2,4-dichloro-5-hydroxyphenoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acrylonitrile
CID 68710519
3-[5-(2,4-Dichloro-5-hydroxyphenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]prop-2-enenitrile
CID 68710520

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol?
The IUPAC name of 2,4-dichloro-5-[4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol (CID 68710522) is 2,4-dichloro-5-[4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol.
What is the SMILES notation for 2,4-dichloro-5-[4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol?
The canonical SMILES for 2,4-dichloro-5-[4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol is Cn1nc(C(F)(F)F)c(CO)c1Oc1cc(O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol?
The InChIKey is ZMDINTNNVBHTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2F3N2O3/c1-19-11(5(4-20)10(18-19)12(15,16)17)22-9-3-8(21)6(13)2-7(9)14/h2-3,20-21H,4H2,1H3.
What are the key properties of 2,4-dichloro-5-[4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol?
2,4-dichloro-5-[4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol has a molecular weight of 357.12 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenol is sourced from PubChem (CID 68710522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).