4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-2-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine

C17H20F5N3O — CID 153296749

IUPAC4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-2-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine
SMILESCCn1ncc(C)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C17H20F5N3O/c1-5-25-14(10(2)8-24-25)12-9-23-11(6-13(12)26-15(18)19)7-16(3,4)17(20,21)22/h6,8-9,15H,5,7H2,1-4H3
InChIKeyWFAFBILMDWLTAD-UHFFFAOYSA-N
MW377.36 g/mol
LogP5.01
Rot. Bonds6

About 4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-2-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine

4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-2-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine (PubChem CID 153296749) has the molecular formula C17H20F5N3O and a molecular weight of 377.36 g/mol. Its IUPAC name is 4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-2-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine.

Molecular Properties

Compound Name4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-2-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine
PubChem CID153296749
Molecular FormulaC17H20F5N3O
Molecular Weight377.36 g/mol
Exact Mass377.15
IUPAC Name4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-2-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine
SMILESCCn1ncc(C)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C17H20F5N3O/c1-5-25-14(10(2)8-24-25)12-9-23-11(6-13(12)26-15(18)19)7-16(3,4)17(20,21)22/h6,8-9,15H,5,7H2,1-4H3
InChIKeyWFAFBILMDWLTAD-UHFFFAOYSA-N
XLogP5.01
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.36
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine
CID 153296584
5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 146285933
5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide
CID 153296764
5-(4-chloro-1-ethylpyrazol-5-yl)-4-(1,1-difluoroethyl)-2-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine
CID 153296817
4-chloro-5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 153296722
ethyl 5-[6-(3,3-difluoro-2,2-dimethylpropyl)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-4-methylpyrazole-3-carboxylate
CID 146285897
5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropoxy)-3-pyridinyl]-1-ethyl-4-methylpyrazole-3-carboxylic acid
CID 155797844
carbon dioxide;3-(4-chloro-1-ethylpyrazol-5-yl)-2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine
CID 160949403
4-chloro-1-ethyl-5-[4-methoxy-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]pyrazole-3-carboxylic acid
CID 155797848
4-chloro-5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;sulfur dioxide
CID 162126713
carbon dioxide;5-(2,5-diethyl-4-methylpyrazol-3-yl)-4-(difluoromethoxy)-2-[(2S)-3,3,3-trifluoro-2-methylpropyl]pyridine
CID 158092939
carbon dioxide;5-(2,5-diethyl-4-methylpyrazol-3-yl)-4-(difluoromethoxy)-2-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridine
CID 158092938

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-2-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine?
The IUPAC name of 4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-2-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine (CID 153296749) is 4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-2-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine.
What is the SMILES notation for 4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-2-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine?
The canonical SMILES for 4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-2-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine is CCn1ncc(C)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-2-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine?
The InChIKey is WFAFBILMDWLTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F5N3O/c1-5-25-14(10(2)8-24-25)12-9-23-11(6-13(12)26-15(18)19)7-16(3,4)17(20,21)22/h6,8-9,15H,5,7H2,1-4H3.
What are the key properties of 4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-2-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine?
4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-2-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine has a molecular weight of 377.36 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-2-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine is sourced from PubChem (CID 153296749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).