carbon dioxide;5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine

C20H26ClF3N4O2 — CID 159854115

IUPACcarbon dioxide;5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine
SMILESCCc1cc(NC(C)(C)CC(F)(F)F)ncc1-c1c(Cl)c(CC)nn1CC.O=C=O
InChIInChI=1S/C19H26ClF3N4.CO2/c1-6-12-9-15(25-18(4,5)11-19(21,22)23)24-10-13(12)17-16(20)14(7-2)26-27(17)8-3;2-1-3/h9-10H,6-8,11H2,1-5H3,(H,24,25);
InChIKeyNQHREARHUFGXOL-UHFFFAOYSA-N
MW446.90 g/mol
LogP5.30
Rot. Bonds7

About carbon dioxide;5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine

carbon dioxide;5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine (PubChem CID 159854115) has the molecular formula C20H26ClF3N4O2 and a molecular weight of 446.90 g/mol. Its IUPAC name is carbon dioxide;5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Namecarbon dioxide;5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine
PubChem CID159854115
Molecular FormulaC20H26ClF3N4O2
Molecular Weight446.90 g/mol
Exact Mass446.17
IUPAC Namecarbon dioxide;5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine
SMILESCCc1cc(NC(C)(C)CC(F)(F)F)ncc1-c1c(Cl)c(CC)nn1CC.O=C=O
InChIInChI=1S/C19H26ClF3N4.CO2/c1-6-12-9-15(25-18(4,5)11-19(21,22)23)24-10-13(12)17-16(20)14(7-2)26-27(17)8-3;2-1-3/h9-10H,6-8,11H2,1-5H3,(H,24,25);
InChIKeyNQHREARHUFGXOL-UHFFFAOYSA-N
XLogP5.30
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.90
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(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-1-ethyl-5-[4-ethyl-6-[(4,4,4-trifluoro-2-methylbutan-2-yl)amino]-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 153296565
4-chloro-5-[4-(difluoromethoxy)-6-[(4,4,4-trifluoro-2-methylbutan-2-yl)amino]-3-pyridinyl]-1-ethylpyrazole-3-carboxylic acid
CID 175085731
5-(4-chloro-1,3-diethylpyrazol-5-yl)-N-(1-cyclopropyl-2-methylpropan-2-yl)-4-(difluoromethoxy)pyridin-2-amine
CID 153296646
carbon dioxide;2-chloro-5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
CID 161297245
5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-propan-2-yl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine;nitrous acid
CID 158645104
4-chloro-5-[2-(difluoromethoxy)-4-(4,4,4-trifluoro-2,2-dimethylbutyl)phenyl]-1,3-diethylpyrazole
CID 153296144
4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine
CID 153296584
carbon dioxide;3-(4-chloro-1,3-diethylpyrazol-5-yl)-4-propan-2-ylpyridine
CID 158439688
4-chloro-1-ethyl-5-[4-ethyl-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]pyrazole-3-carboxylic acid
CID 146285779
4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-1,3-diethylpyrazole
CID 153295995

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine?
The IUPAC name of 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) is carbon dioxide;5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine.
What is the SMILES notation for carbon dioxide;5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine?
The canonical SMILES for carbon dioxide;5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine is CCc1cc(NC(C)(C)CC(F)(F)F)ncc1-c1c(Cl)c(CC)nn1CC.O=C=O.
What is the InChIKey of carbon dioxide;5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine?
The InChIKey is NQHREARHUFGXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClF3N4.CO2/c1-6-12-9-15(25-18(4,5)11-19(21,22)23)24-10-13(12)17-16(20)14(7-2)26-27(17)8-3;2-1-3/h9-10H,6-8,11H2,1-5H3,(H,24,25);.
What are the key properties of carbon dioxide;5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine?
carbon dioxide;5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine has a molecular weight of 446.90 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine is sourced from PubChem (CID 159854115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).