3-(4-chloro-3-fluorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole

C12H9ClF4N2 — CID 57090803

IUPAC3-(4-chloro-3-fluorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole
SMILESCCc1c(-c2ccc(Cl)c(F)c2)n[nH]c1C(F)(F)F
InChIInChI=1S/C12H9ClF4N2/c1-2-7-10(18-19-11(7)12(15,16)17)6-3-4-8(13)9(14)5-6/h3-5H,2H2,1H3,(H,18,19)
InChIKeyNWVAROSFKQRDLS-UHFFFAOYSA-N
MW292.66 g/mol
LogP4.45
Rot. Bonds2

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

3-(4-chloro-3-fluorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 57090803) has the molecular formula C12H9ClF4N2 and a molecular weight of 292.66 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole
PubChem CID57090803
Molecular FormulaC12H9ClF4N2
Molecular Weight292.66 g/mol
Exact Mass292.04
IUPAC Name3-(4-chloro-3-fluorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole
SMILESCCc1c(-c2ccc(Cl)c(F)c2)n[nH]c1C(F)(F)F
InChIInChI=1S/C12H9ClF4N2/c1-2-7-10(18-19-11(7)12(15,16)17)6-3-4-8(13)9(14)5-6/h3-5H,2H2,1H3,(H,18,19)
InChIKeyNWVAROSFKQRDLS-UHFFFAOYSA-N
XLogP4.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.66
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole (CID 57090803) is 3-(4-chloro-3-fluorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole is CCc1c(-c2ccc(Cl)c(F)c2)n[nH]c1C(F)(F)F.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is NWVAROSFKQRDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF4N2/c1-2-7-10(18-19-11(7)12(15,16)17)6-3-4-8(13)9(14)5-6/h3-5H,2H2,1H3,(H,18,19).
What are the key properties of 3-(4-chloro-3-fluorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole?
3-(4-chloro-3-fluorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 292.66 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 57090803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).