4-ethyl-1-(4-ethynylphenyl)-5-(trifluoromethyl)pyrazole

C14H11F3N2 — CID 153436157

IUPAC4-ethyl-1-(4-ethynylphenyl)-5-(trifluoromethyl)pyrazole
SMILESC#Cc1ccc(-n2ncc(CC)c2C(F)(F)F)cc1
InChIInChI=1S/C14H11F3N2/c1-3-10-5-7-12(8-6-10)19-13(14(15,16)17)11(4-2)9-18-19/h1,5-9H,4H2,2H3
InChIKeyQEUNUFWIWJRBQI-UHFFFAOYSA-N
MW264.25 g/mol
LogP3.43
Rot. Bonds2

About 4-ethyl-1-(4-ethynylphenyl)-5-(trifluoromethyl)pyrazole

4-ethyl-1-(4-ethynylphenyl)-5-(trifluoromethyl)pyrazole (PubChem CID 153436157) has the molecular formula C14H11F3N2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 4-ethyl-1-(4-ethynylphenyl)-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-ethyl-1-(4-ethynylphenyl)-5-(trifluoromethyl)pyrazole
PubChem CID153436157
Molecular FormulaC14H11F3N2
Molecular Weight264.25 g/mol
Exact Mass264.09
IUPAC Name4-ethyl-1-(4-ethynylphenyl)-5-(trifluoromethyl)pyrazole
SMILESC#Cc1ccc(-n2ncc(CC)c2C(F)(F)F)cc1
InChIInChI=1S/C14H11F3N2/c1-3-10-5-7-12(8-6-10)19-13(14(15,16)17)11(4-2)9-18-19/h1,5-9H,4H2,2H3
InChIKeyQEUNUFWIWJRBQI-UHFFFAOYSA-N
XLogP3.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-ethyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]ethynyl-trimethylsilane
CID 153436168
2-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]acetic acid
CID 82527752
(E)-2,3-dichloro-N-[4-[4-ethyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]but-2-enamide
CID 129060915
4-(chloromethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole
CID 66438359
N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-1-amine
CID 66442458
[1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol
CID 66438123
1-(4-ethylphenyl)-5-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 82527711
carbon dioxide;1-(3,5-dimethoxyphenyl)-4-[4-[4-ethyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]triazole
CID 159360458
N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66441057
N-[[1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-2-amine
CID 66441171
[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 82527606
[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanethiol
CID 82527607

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-ethynylphenyl)-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-ethyl-1-(4-ethynylphenyl)-5-(trifluoromethyl)pyrazole (CID 153436157) is 4-ethyl-1-(4-ethynylphenyl)-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-ethyl-1-(4-ethynylphenyl)-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-ethyl-1-(4-ethynylphenyl)-5-(trifluoromethyl)pyrazole is C#Cc1ccc(-n2ncc(CC)c2C(F)(F)F)cc1.
What is the InChIKey of 4-ethyl-1-(4-ethynylphenyl)-5-(trifluoromethyl)pyrazole?
The InChIKey is QEUNUFWIWJRBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2/c1-3-10-5-7-12(8-6-10)19-13(14(15,16)17)11(4-2)9-18-19/h1,5-9H,4H2,2H3.
What are the key properties of 4-ethyl-1-(4-ethynylphenyl)-5-(trifluoromethyl)pyrazole?
4-ethyl-1-(4-ethynylphenyl)-5-(trifluoromethyl)pyrazole has a molecular weight of 264.25 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-ethynylphenyl)-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 153436157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).