1-ethyl-5-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C14H10F7N3O — CID 19280765

IUPAC1-ethyl-5-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1C
InChIInChI=1S/C14H10F7N3O/c1-3-24-5(2)6(4-22-24)13(25)23-12-10(17)8(15)7(14(19,20)21)9(16)11(12)18/h4H,3H2,1-2H3,(H,23,25)
InChIKeyLEOAOCYTDXYNJD-UHFFFAOYSA-N
MW369.24 g/mol
LogP4.04
Rot. Bonds3

About 1-ethyl-5-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

1-ethyl-5-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 19280765) has the molecular formula C14H10F7N3O and a molecular weight of 369.24 g/mol. Its IUPAC name is 1-ethyl-5-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID19280765
Molecular FormulaC14H10F7N3O
Molecular Weight369.24 g/mol
Exact Mass369.07
IUPAC Name1-ethyl-5-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1C
InChIInChI=1S/C14H10F7N3O/c1-3-24-5(2)6(4-22-24)13(25)23-12-10(17)8(15)7(14(19,20)21)9(16)11(12)18/h4H,3H2,1-2H3,(H,23,25)
InChIKeyLEOAOCYTDXYNJD-UHFFFAOYSA-N
XLogP4.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-iodo-5-methylpyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
CID 19552070
3-(4-chloro-5-methylpyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
CID 19553897
1-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
CID 844731
N-(2,5-difluorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 1225270
3-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19280793
4-bromo-1-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-5-carboxamide
CID 19475068
1-(pyrazol-1-ylmethyl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 19264581
N-(2-cyanophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280815
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280663
1-ethyl-5-methyl-N-(1-methylbenzimidazol-2-yl)pyrazole-4-carboxamide
CID 19280706
1-ethyl-4-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxamide
CID 4772267
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19466107

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-5-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 19280765) is 1-ethyl-5-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-5-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-5-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is CCn1ncc(C(=O)Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1C.
What is the InChIKey of 1-ethyl-5-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is LEOAOCYTDXYNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F7N3O/c1-3-24-5(2)6(4-22-24)13(25)23-12-10(17)8(15)7(14(19,20)21)9(16)11(12)18/h4H,3H2,1-2H3,(H,23,25).
What are the key properties of 1-ethyl-5-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
1-ethyl-5-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 369.24 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 19280765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).