5-ethyl-1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazole

C14H15F3N2 — CID 70791508

IUPAC5-ethyl-1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCCc1c(C)c(-c2ccc(C(F)(F)F)cc2)nn1C
InChIInChI=1S/C14H15F3N2/c1-4-12-9(2)13(18-19(12)3)10-5-7-11(8-6-10)14(15,16)17/h5-8H,4H2,1-3H3
InChIKeyYJXFWYMRSDDETA-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.98
Rot. Bonds2

About 5-ethyl-1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazole

5-ethyl-1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazole (PubChem CID 70791508) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-ethyl-1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name5-ethyl-1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazole
PubChem CID70791508
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name5-ethyl-1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCCc1c(C)c(-c2ccc(C(F)(F)F)cc2)nn1C
InChIInChI=1S/C14H15F3N2/c1-4-12-9(2)13(18-19(12)3)10-5-7-11(8-6-10)14(15,16)17/h5-8H,4H2,1-3H3
InChIKeyYJXFWYMRSDDETA-UHFFFAOYSA-N
XLogP3.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-2-methyl-6-(trifluoromethyl)indazole
CID 59514322
5-(chloromethyl)-3-(4-chlorophenyl)-1,4-dimethylpyrazole
CID 69280234
[1-methyl-4-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl] hydrogen carbonate
CID 122698891
5-chloro-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 175213535
1-methyl-3-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride
CID 156537428
5-(chloromethyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole
CID 21082224
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
2-ethyl-4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine
CID 62483401
3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 122451400
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
2,3,5-trifluoro-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine
CID 11437757
[3,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazol-4-yl]methanol
CID 122476397

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 5-ethyl-1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazole (CID 70791508) is 5-ethyl-1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 5-ethyl-1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 5-ethyl-1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazole is CCc1c(C)c(-c2ccc(C(F)(F)F)cc2)nn1C.
What is the InChIKey of 5-ethyl-1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is YJXFWYMRSDDETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-4-12-9(2)13(18-19(12)3)10-5-7-11(8-6-10)14(15,16)17/h5-8H,4H2,1-3H3.
What are the key properties of 5-ethyl-1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazole?
5-ethyl-1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 268.28 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 70791508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).