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

C14H13Cl2F3N2O — CID 10155018

IUPAC2-[4-[(3,5-dichlorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESCc1c(Cc2cc(Cl)cc(Cl)c2)c(C(F)(F)F)nn1CCO
InChIInChI=1S/C14H13Cl2F3N2O/c1-8-12(6-9-4-10(15)7-11(16)5-9)13(14(17,18)19)20-21(8)2-3-22/h4-5,7,22H,2-3,6H2,1H3
InChIKeyBACTVVFYCZAWDC-UHFFFAOYSA-N
MW353.17 g/mol
LogP4.10
Rot. Bonds4

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

2-[4-[(3,5-dichlorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol (PubChem CID 10155018) has the molecular formula C14H13Cl2F3N2O and a molecular weight of 353.17 g/mol. Its IUPAC name is 2-[4-[(3,5-dichlorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3,5-dichlorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol
PubChem CID10155018
Molecular FormulaC14H13Cl2F3N2O
Molecular Weight353.17 g/mol
Exact Mass352.04
IUPAC Name2-[4-[(3,5-dichlorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESCc1c(Cc2cc(Cl)cc(Cl)c2)c(C(F)(F)F)nn1CCO
InChIInChI=1S/C14H13Cl2F3N2O/c1-8-12(6-9-4-10(15)7-11(16)5-9)13(14(17,18)19)20-21(8)2-3-22/h4-5,7,22H,2-3,6H2,1H3
InChIKeyBACTVVFYCZAWDC-UHFFFAOYSA-N
XLogP4.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 54.10
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]-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(3,5-dichlorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol (CID 10155018) is 2-[4-[(3,5-dichlorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(3,5-dichlorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(3,5-dichlorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol is Cc1c(Cc2cc(Cl)cc(Cl)c2)c(C(F)(F)F)nn1CCO.
What is the InChIKey of 2-[4-[(3,5-dichlorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The InChIKey is BACTVVFYCZAWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2F3N2O/c1-8-12(6-9-4-10(15)7-11(16)5-9)13(14(17,18)19)20-21(8)2-3-22/h4-5,7,22H,2-3,6H2,1H3.
What are the key properties of 2-[4-[(3,5-dichlorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
2-[4-[(3,5-dichlorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol has a molecular weight of 353.17 g/mol, XLogP of 4.10, 4 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]-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 10155018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).