2-[4-[(3,5-dichlorophenyl)methyl]-3-ethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol

C15H15Cl2F3N2O — CID 10109513

IUPAC2-[4-[(3,5-dichlorophenyl)methyl]-3-ethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESCCc1nn(CCO)c(C(F)(F)F)c1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H15Cl2F3N2O/c1-2-13-12(7-9-5-10(16)8-11(17)6-9)14(15(18,19)20)22(21-13)3-4-23/h5-6,8,23H,2-4,7H2,1H3
InChIKeyCOTAEJDMSLJUKZ-UHFFFAOYSA-N
MW367.20 g/mol
LogP4.35
Rot. Bonds5

About 2-[4-[(3,5-dichlorophenyl)methyl]-3-ethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol

2-[4-[(3,5-dichlorophenyl)methyl]-3-ethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol (PubChem CID 10109513) has the molecular formula C15H15Cl2F3N2O and a molecular weight of 367.20 g/mol. Its IUPAC name is 2-[4-[(3,5-dichlorophenyl)methyl]-3-ethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3,5-dichlorophenyl)methyl]-3-ethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol
PubChem CID10109513
Molecular FormulaC15H15Cl2F3N2O
Molecular Weight367.20 g/mol
Exact Mass366.05
IUPAC Name2-[4-[(3,5-dichlorophenyl)methyl]-3-ethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESCCc1nn(CCO)c(C(F)(F)F)c1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H15Cl2F3N2O/c1-2-13-12(7-9-5-10(16)8-11(17)6-9)14(15(18,19)20)22(21-13)3-4-23/h5-6,8,23H,2-4,7H2,1H3
InChIKeyCOTAEJDMSLJUKZ-UHFFFAOYSA-N
XLogP4.35
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dichlorophenyl)methyl]-3-ethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(3,5-dichlorophenyl)methyl]-3-ethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol (CID 10109513) is 2-[4-[(3,5-dichlorophenyl)methyl]-3-ethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(3,5-dichlorophenyl)methyl]-3-ethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(3,5-dichlorophenyl)methyl]-3-ethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol is CCc1nn(CCO)c(C(F)(F)F)c1Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[4-[(3,5-dichlorophenyl)methyl]-3-ethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol?
The InChIKey is COTAEJDMSLJUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2F3N2O/c1-2-13-12(7-9-5-10(16)8-11(17)6-9)14(15(18,19)20)22(21-13)3-4-23/h5-6,8,23H,2-4,7H2,1H3.
What are the key properties of 2-[4-[(3,5-dichlorophenyl)methyl]-3-ethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol?
2-[4-[(3,5-dichlorophenyl)methyl]-3-ethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol has a molecular weight of 367.20 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dichlorophenyl)methyl]-3-ethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 10109513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).