3-(4-chlorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole

C12H10ClF3N2 — CID 142636991

IUPAC3-(4-chlorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole
SMILESCCc1c(-c2ccc(Cl)cc2)n[nH]c1C(F)(F)F
InChIInChI=1S/C12H10ClF3N2/c1-2-9-10(7-3-5-8(13)6-4-7)17-18-11(9)12(14,15)16/h3-6H,2H2,1H3,(H,17,18)
InChIKeyWUJXDFMKNAJEDA-UHFFFAOYSA-N
MW274.67 g/mol
LogP4.31
Rot. Bonds2

About 3-(4-chlorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole

3-(4-chlorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 142636991) has the molecular formula C12H10ClF3N2 and a molecular weight of 274.67 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole
PubChem CID142636991
Molecular FormulaC12H10ClF3N2
Molecular Weight274.67 g/mol
Exact Mass274.05
IUPAC Name3-(4-chlorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole
SMILESCCc1c(-c2ccc(Cl)cc2)n[nH]c1C(F)(F)F
InChIInChI=1S/C12H10ClF3N2/c1-2-9-10(7-3-5-8(13)6-4-7)17-18-11(9)12(14,15)16/h3-6H,2H2,1H3,(H,17,18)
InChIKeyWUJXDFMKNAJEDA-UHFFFAOYSA-N
XLogP4.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.67
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-1H-pyrazole
CID 714291
4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 575802
3-Amino-5-(4-chlorophenyl)pyrazole
CID 2735305
3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole
CID 2767228
4-(2-chlorophenyl)-3-methyl-1H-pyrazole
CID 2805460
3-(4-chlorophenyl)-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole
CID 800359
Zinc00434359
CID 869251
3,5-bis(4-chlorophenyl)-1H-pyrazole
CID 12436641
Celecoxib N-des(benzenesulfonamide)
CID 4166967
3-(4-Chlorophenyl)-5-methyl-1H-pyrazole
CID 606094
3-Phenyl-5-(trifluoromethyl)-1H-pyrazole
CID 611322
3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 732508

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-(4-chlorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole (CID 142636991) is 3-(4-chlorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole is CCc1c(-c2ccc(Cl)cc2)n[nH]c1C(F)(F)F.
What is the InChIKey of 3-(4-chlorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is WUJXDFMKNAJEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2/c1-2-9-10(7-3-5-8(13)6-4-7)17-18-11(9)12(14,15)16/h3-6H,2H2,1H3,(H,17,18).
What are the key properties of 3-(4-chlorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole?
3-(4-chlorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 274.67 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 142636991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).