5-chloro-3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole

C13H12ClF3N2 — CID 81255305

IUPAC5-chloro-3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCCc1nn(-c2ccc(C(F)(F)F)cc2)c(Cl)c1C
InChIInChI=1S/C13H12ClF3N2/c1-3-11-8(2)12(14)19(18-11)10-6-4-9(5-7-10)13(15,16)17/h4-7H,3H2,1-2H3
InChIKeyJGNVAEILOGONGA-UHFFFAOYSA-N
MW288.70 g/mol
LogP4.42
Rot. Bonds2

About 5-chloro-3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole

5-chloro-3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole (PubChem CID 81255305) has the molecular formula C13H12ClF3N2 and a molecular weight of 288.70 g/mol. Its IUPAC name is 5-chloro-3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name5-chloro-3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
PubChem CID81255305
Molecular FormulaC13H12ClF3N2
Molecular Weight288.70 g/mol
Exact Mass288.06
IUPAC Name5-chloro-3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCCc1nn(-c2ccc(C(F)(F)F)cc2)c(Cl)c1C
InChIInChI=1S/C13H12ClF3N2/c1-3-11-8(2)12(14)19(18-11)10-6-4-9(5-7-10)13(15,16)17/h4-7H,3H2,1-2H3
InChIKeyJGNVAEILOGONGA-UHFFFAOYSA-N
XLogP4.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.70
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-4-methyl-3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 81254924
4-(5-chloro-3-ethyl-4-methylpyrazol-1-yl)benzonitrile
CID 66021994
3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 122451400
3-ethyl-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4268812
[5-chloro-3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 81254769
5-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 81253459
5-chloro-1-(2,4-dimethylphenyl)-3-ethyl-4-methylpyrazole
CID 66021998
6-methyl-3-(sulfanylmethyl)-1-[4-(trifluoromethyl)phenyl]pyridazin-4-one
CID 82421471
3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 131896163
4-(3,5-diethyl-4-methylpyrazol-1-yl)pyridine
CID 129214084
5-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 75355917
4-[5-chloro-4-(chloromethyl)-3-ethylpyrazol-1-yl]pyridine
CID 43543145

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 5-chloro-3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole (CID 81255305) is 5-chloro-3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 5-chloro-3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 5-chloro-3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole is CCc1nn(-c2ccc(C(F)(F)F)cc2)c(Cl)c1C.
What is the InChIKey of 5-chloro-3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is JGNVAEILOGONGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2/c1-3-11-8(2)12(14)19(18-11)10-6-4-9(5-7-10)13(15,16)17/h4-7H,3H2,1-2H3.
What are the key properties of 5-chloro-3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
5-chloro-3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 288.70 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 81255305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).