4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine

C17H21F5N4O — CID 153296584

IUPAC4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine
SMILESCCn1ncc(C)c1-c1cnc(NC(C)(C)CC(F)(F)F)cc1OC(F)F
InChIInChI=1S/C17H21F5N4O/c1-5-26-14(10(2)7-24-26)11-8-23-13(6-12(11)27-15(18)19)25-16(3,4)9-17(20,21)22/h6-8,15H,5,9H2,1-4H3,(H,23,25)
InChIKeyVYTMIYHLLYXUJP-UHFFFAOYSA-N
MW392.37 g/mol
LogP5.02
Rot. Bonds7

About 4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine

4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine (PubChem CID 153296584) has the molecular formula C17H21F5N4O and a molecular weight of 392.37 g/mol. Its IUPAC name is 4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine
PubChem CID153296584
Molecular FormulaC17H21F5N4O
Molecular Weight392.37 g/mol
Exact Mass392.16
IUPAC Name4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine
SMILESCCn1ncc(C)c1-c1cnc(NC(C)(C)CC(F)(F)F)cc1OC(F)F
InChIInChI=1S/C17H21F5N4O/c1-5-26-14(10(2)7-24-26)11-8-23-13(6-12(11)27-15(18)19)25-16(3,4)9-17(20,21)22/h6-8,15H,5,9H2,1-4H3,(H,23,25)
InChIKeyVYTMIYHLLYXUJP-UHFFFAOYSA-N
XLogP5.02
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.37
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

carbon dioxide;5-(2,5-diethyl-4-methylpyrazol-3-yl)-4-(difluoromethoxy)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine
CID 157459466
4-chloro-5-[4-(difluoromethoxy)-6-[(4,4,4-trifluoro-2-methylbutan-2-yl)amino]-3-pyridinyl]-1-ethylpyrazole-3-carboxylic acid
CID 175085731
4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-2-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine
CID 153296749
5-(4-chloro-1,3-diethylpyrazol-5-yl)-N-(1-cyclopropyl-2-methylpropan-2-yl)-4-(difluoromethoxy)pyridin-2-amine
CID 153296646
5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(1,1-difluoroethyl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine
CID 153296595
carbon dioxide;5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine
CID 159854115
ethyl 4-chloro-5-[4-(difluoromethoxy)-6-(propylamino)-3-pyridinyl]-1-ethylpyrazole-3-carboxylate
CID 146286385
5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropoxy)-3-pyridinyl]-1-ethyl-4-methylpyrazole-3-carboxylic acid
CID 155797844
4-chloro-5-[2-(difluoromethoxy)-4-(4,4,4-trifluoro-2,2-dimethylbutyl)phenyl]-1,3-diethylpyrazole
CID 153296144
carbon dioxide;2-chloro-5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
CID 161297245
ethyl 5-[6-(3,3-difluoro-2,2-dimethylpropyl)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-4-methylpyrazole-3-carboxylate
CID 146285897
carbon dioxide;5-(2,5-diethyl-4-methylpyrazol-3-yl)-4-(difluoromethoxy)-2-[(2S)-3,3,3-trifluoro-2-methylpropyl]pyridine
CID 158092939

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine?
The IUPAC name of 4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine (CID 153296584) is 4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine.
What is the SMILES notation for 4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine?
The canonical SMILES for 4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine is CCn1ncc(C)c1-c1cnc(NC(C)(C)CC(F)(F)F)cc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine?
The InChIKey is VYTMIYHLLYXUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F5N4O/c1-5-26-14(10(2)7-24-26)11-8-23-13(6-12(11)27-15(18)19)25-16(3,4)9-17(20,21)22/h6-8,15H,5,9H2,1-4H3,(H,23,25).
What are the key properties of 4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine?
4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine has a molecular weight of 392.37 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine is sourced from PubChem (CID 153296584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).