[1-[2,6-dichloro-3-(trifluoromethyl)phenyl]-3,5-diethylpyrazol-4-yl]methanol

C15H15Cl2F3N2O — CID 54570145

IUPAC[1-[2,6-dichloro-3-(trifluoromethyl)phenyl]-3,5-diethylpyrazol-4-yl]methanol
SMILESCCc1nn(-c2c(Cl)ccc(C(F)(F)F)c2Cl)c(CC)c1CO
InChIInChI=1S/C15H15Cl2F3N2O/c1-3-11-8(7-23)12(4-2)22(21-11)14-10(16)6-5-9(13(14)17)15(18,19)20/h5-6,23H,3-4,7H2,1-2H3
InChIKeyZWRFYSTUNZGRND-UHFFFAOYSA-N
MW367.20 g/mol
LogP4.82
Rot. Bonds4

About [1-[2,6-dichloro-3-(trifluoromethyl)phenyl]-3,5-diethylpyrazol-4-yl]methanol

[1-[2,6-dichloro-3-(trifluoromethyl)phenyl]-3,5-diethylpyrazol-4-yl]methanol (PubChem CID 54570145) has the molecular formula C15H15Cl2F3N2O and a molecular weight of 367.20 g/mol. Its IUPAC name is [1-[2,6-dichloro-3-(trifluoromethyl)phenyl]-3,5-diethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2,6-dichloro-3-(trifluoromethyl)phenyl]-3,5-diethylpyrazol-4-yl]methanol
PubChem CID54570145
Molecular FormulaC15H15Cl2F3N2O
Molecular Weight367.20 g/mol
Exact Mass366.05
IUPAC Name[1-[2,6-dichloro-3-(trifluoromethyl)phenyl]-3,5-diethylpyrazol-4-yl]methanol
SMILESCCc1nn(-c2c(Cl)ccc(C(F)(F)F)c2Cl)c(CC)c1CO
InChIInChI=1S/C15H15Cl2F3N2O/c1-3-11-8(7-23)12(4-2)22(21-11)14-10(16)6-5-9(13(14)17)15(18,19)20/h5-6,23H,3-4,7H2,1-2H3
InChIKeyZWRFYSTUNZGRND-UHFFFAOYSA-N
XLogP4.82
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2,6-dichloro-3-(trifluoromethyl)phenyl]-3,5-diethylpyrazol-4-yl]methanol?
The IUPAC name of [1-[2,6-dichloro-3-(trifluoromethyl)phenyl]-3,5-diethylpyrazol-4-yl]methanol (CID 54570145) is [1-[2,6-dichloro-3-(trifluoromethyl)phenyl]-3,5-diethylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-[2,6-dichloro-3-(trifluoromethyl)phenyl]-3,5-diethylpyrazol-4-yl]methanol?
The canonical SMILES for [1-[2,6-dichloro-3-(trifluoromethyl)phenyl]-3,5-diethylpyrazol-4-yl]methanol is CCc1nn(-c2c(Cl)ccc(C(F)(F)F)c2Cl)c(CC)c1CO.
What is the InChIKey of [1-[2,6-dichloro-3-(trifluoromethyl)phenyl]-3,5-diethylpyrazol-4-yl]methanol?
The InChIKey is ZWRFYSTUNZGRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2F3N2O/c1-3-11-8(7-23)12(4-2)22(21-11)14-10(16)6-5-9(13(14)17)15(18,19)20/h5-6,23H,3-4,7H2,1-2H3.
What are the key properties of [1-[2,6-dichloro-3-(trifluoromethyl)phenyl]-3,5-diethylpyrazol-4-yl]methanol?
[1-[2,6-dichloro-3-(trifluoromethyl)phenyl]-3,5-diethylpyrazol-4-yl]methanol has a molecular weight of 367.20 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2,6-dichloro-3-(trifluoromethyl)phenyl]-3,5-diethylpyrazol-4-yl]methanol is sourced from PubChem (CID 54570145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).