1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide

C13H11F4N3O — CID 19281483

IUPAC1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H11F4N3O/c1-5-9(6(2)20(3)19-5)13(21)18-12-10(16)7(14)4-8(15)11(12)17/h4H,1-3H3,(H,18,21)
InChIKeyFELDCBDKANLURE-UHFFFAOYSA-N
MW301.24 g/mol
LogP2.85
Rot. Bonds2

About 1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide

1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide (PubChem CID 19281483) has the molecular formula C13H11F4N3O and a molecular weight of 301.24 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide
PubChem CID19281483
Molecular FormulaC13H11F4N3O
Molecular Weight301.24 g/mol
Exact Mass301.08
IUPAC Name1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H11F4N3O/c1-5-9(6(2)20(3)19-5)13(21)18-12-10(16)7(14)4-8(15)11(12)17/h4H,1-3H3,(H,18,21)
InChIKeyFELDCBDKANLURE-UHFFFAOYSA-N
XLogP2.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 52.85
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

4-chloro-1,5-dimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide
CID 19266677
N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742326
2-fluoro-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 103791455
N-(3-cyano-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 62316843
N-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 103753650
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742914
N-(3,5-dichloro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 82884303
N-(4-hydroxy-2,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 106834916
N-(6-chloro-4-methyl-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 113263016
N-(5-amino-2,4-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 104757095
5-chloro-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 28548365

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide (CID 19281483) is 1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide?
The InChIKey is FELDCBDKANLURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N3O/c1-5-9(6(2)20(3)19-5)13(21)18-12-10(16)7(14)4-8(15)11(12)17/h4H,1-3H3,(H,18,21).
What are the key properties of 1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide?
1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide has a molecular weight of 301.24 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 19281483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).