5-(1-ethoxyethenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole

C14H13F3N2O — CID 89293655

IUPAC5-(1-ethoxyethenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
SMILESC=C(OCC)c1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1
InChIInChI=1S/C14H13F3N2O/c1-3-20-9(2)12-8-13(19-18-12)10-4-6-11(7-5-10)14(15,16)17/h4-8H,2-3H2,1H3,(H,18,19)
InChIKeyIUDYKRWXVMQHGJ-UHFFFAOYSA-N
MW282.27 g/mol
LogP4.10
Rot. Bonds4

About 5-(1-ethoxyethenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole

5-(1-ethoxyethenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole (PubChem CID 89293655) has the molecular formula C14H13F3N2O and a molecular weight of 282.27 g/mol. Its IUPAC name is 5-(1-ethoxyethenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-(1-ethoxyethenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
PubChem CID89293655
Molecular FormulaC14H13F3N2O
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name5-(1-ethoxyethenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
SMILESC=C(OCC)c1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1
InChIInChI=1S/C14H13F3N2O/c1-3-20-9(2)12-8-13(19-18-12)10-4-6-11(7-5-10)14(15,16)17/h4-8H,2-3H2,1H3,(H,18,19)
InChIKeyIUDYKRWXVMQHGJ-UHFFFAOYSA-N
XLogP4.10
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-(3-Methoxyphenyl)-5-(Trifluoromethyl)-1h-Pyrazole
CID 22352557
3-(methoxymethyl)-4-phenyl-1H-pyrazol-5-amine
CID 6456680
(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanol
CID 54847426
methyl 3-(4-(trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylate
CID 53691765
5-Phenyl-1H-pyrazole-3-methanol
CID 11389680
5-(diethoxymethyl)-3-(4-fluorophenyl)-1H-pyrazole
CID 81174511
5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-1H-pyrazole
CID 155932623
5-(1,3-dioxan-2-yl)-3-(4-fluorophenyl)-1H-pyrazole
CID 155932702
4-(4-ethylphenyl)-5-(methoxymethyl)-3-methyl-1H-pyrazole
CID 121498919
3-(2-(Benzyloxy)ethyl)-5-(trifluoromethyl)-1H-pyrazole
CID 10778433
Ethyl 3-(4-(trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylate
CID 45790237
(3-(4-fluorophenyl)-1H-pyrazol-5-yl)methanol
CID 49756939

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxyethenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
The IUPAC name of 5-(1-ethoxyethenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole (CID 89293655) is 5-(1-ethoxyethenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-(1-ethoxyethenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
The canonical SMILES for 5-(1-ethoxyethenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole is C=C(OCC)c1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1.
What is the InChIKey of 5-(1-ethoxyethenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
The InChIKey is IUDYKRWXVMQHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c1-3-20-9(2)12-8-13(19-18-12)10-4-6-11(7-5-10)14(15,16)17/h4-8H,2-3H2,1H3,(H,18,19).
What are the key properties of 5-(1-ethoxyethenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
5-(1-ethoxyethenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole has a molecular weight of 282.27 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxyethenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole is sourced from PubChem (CID 89293655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).