5-chloro-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole

C12H10ClF3N2O — CID 114020821

IUPAC5-chloro-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole
SMILESCCOc1ccc(-n2nc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C12H10ClF3N2O/c1-2-19-9-5-3-8(4-6-9)18-11(13)7-10(17-18)12(14,15)16/h3-7H,2H2,1H3
InChIKeyNKANXAJZTOCJJM-UHFFFAOYSA-N
MW290.67 g/mol
LogP3.94
Rot. Bonds3

About 5-chloro-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole

5-chloro-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 114020821) has the molecular formula C12H10ClF3N2O and a molecular weight of 290.67 g/mol. Its IUPAC name is 5-chloro-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-chloro-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole
PubChem CID114020821
Molecular FormulaC12H10ClF3N2O
Molecular Weight290.67 g/mol
Exact Mass290.04
IUPAC Name5-chloro-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole
SMILESCCOc1ccc(-n2nc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C12H10ClF3N2O/c1-2-19-9-5-3-8(4-6-9)18-11(13)7-10(17-18)12(14,15)16/h3-7H,2H2,1H3
InChIKeyNKANXAJZTOCJJM-UHFFFAOYSA-N
XLogP3.94
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.67
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole
CID 66022575
5-chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole
CID 66020948
5-ethoxy-1-phenyl-3-(trifluoromethyl)pyrazole
CID 121014903
1-(2,6-dichlorophenyl)-5-[[4-(4-ethoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole
CID 59240292
1-[4-(bromomethyl)phenyl]-5-ethoxy-3-(trifluoromethyl)pyrazole
CID 164881010
5-ethoxy-2-(trifluoromethyl)pyridine
CID 126758289
4-chloro-1-(4-ethoxyphenyl)-3-methylpyrazol-5-amine
CID 114020779
5-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine
CID 91338292
[1-(4-ethoxyphenyl)-5-(trifluoromethyl)triazol-4-yl]methanamine
CID 82196045
5-[(4-bromophenoxy)methyl]-1-phenyl-3-(trifluoromethyl)pyrazole
CID 59240413
2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-N-methylethanamine;hydrochloride
CID 158524383
1-(4-chlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine
CID 174721890

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-chloro-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole (CID 114020821) is 5-chloro-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-chloro-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-chloro-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole is CCOc1ccc(-n2nc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 5-chloro-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is NKANXAJZTOCJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O/c1-2-19-9-5-3-8(4-6-9)18-11(13)7-10(17-18)12(14,15)16/h3-7H,2H2,1H3.
What are the key properties of 5-chloro-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole?
5-chloro-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 290.67 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 114020821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).