2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyphenol

C11H7Cl2F3N2O2 — CID 19779915

IUPAC2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyphenol
SMILESCn1nc(Oc2ccc(Cl)c(O)c2)c(Cl)c1C(F)(F)F
InChIInChI=1S/C11H7Cl2F3N2O2/c1-18-9(11(14,15)16)8(13)10(17-18)20-5-2-3-6(12)7(19)4-5/h2-4,19H,1H3
InChIKeyOIXVQLSFWRZTKD-UHFFFAOYSA-N
MW327.09 g/mol
LogP4.24
Rot. Bonds2

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

2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyphenol (PubChem CID 19779915) has the molecular formula C11H7Cl2F3N2O2 and a molecular weight of 327.09 g/mol. Its IUPAC name is 2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyphenol.

Molecular Properties

Compound Name2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyphenol
PubChem CID19779915
Molecular FormulaC11H7Cl2F3N2O2
Molecular Weight327.09 g/mol
Exact Mass325.98
IUPAC Name2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyphenol
SMILESCn1nc(Oc2ccc(Cl)c(O)c2)c(Cl)c1C(F)(F)F
InChIInChI=1S/C11H7Cl2F3N2O2/c1-18-9(11(14,15)16)8(13)10(17-18)20-5-2-3-6(12)7(19)4-5/h2-4,19H,1H3
InChIKeyOIXVQLSFWRZTKD-UHFFFAOYSA-N
XLogP4.24
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.09
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyphenol?
The IUPAC name of 2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyphenol (CID 19779915) is 2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyphenol.
What is the SMILES notation for 2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyphenol?
The canonical SMILES for 2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyphenol is Cn1nc(Oc2ccc(Cl)c(O)c2)c(Cl)c1C(F)(F)F.
What is the InChIKey of 2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyphenol?
The InChIKey is OIXVQLSFWRZTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2F3N2O2/c1-18-9(11(14,15)16)8(13)10(17-18)20-5-2-3-6(12)7(19)4-5/h2-4,19H,1H3.
What are the key properties of 2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyphenol?
2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyphenol has a molecular weight of 327.09 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyphenol is sourced from PubChem (CID 19779915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).