5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(1,1-difluoroethyl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine

C19H24ClF5N4 — CID 153296595

IUPAC5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(1,1-difluoroethyl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine
SMILESCCc1nn(CC)c(-c2cnc(NC(C)(C)CC(F)(F)F)cc2C(C)(F)F)c1Cl
InChIInChI=1S/C19H24ClF5N4/c1-6-13-15(20)16(29(7-2)28-13)11-9-26-14(8-12(11)18(5,21)22)27-17(3,4)10-19(23,24)25/h8-9H,6-7,10H2,1-5H3,(H,26,27)
InChIKeyIBEYNZYILVUGIQ-UHFFFAOYSA-N
MW438.87 g/mol
LogP6.44
Rot. Bonds7

About 5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(1,1-difluoroethyl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine

5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(1,1-difluoroethyl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine (PubChem CID 153296595) has the molecular formula C19H24ClF5N4 and a molecular weight of 438.87 g/mol. Its IUPAC name is 5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(1,1-difluoroethyl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(1,1-difluoroethyl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine
PubChem CID153296595
Molecular FormulaC19H24ClF5N4
Molecular Weight438.87 g/mol
Exact Mass438.16
IUPAC Name5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(1,1-difluoroethyl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine
SMILESCCc1nn(CC)c(-c2cnc(NC(C)(C)CC(F)(F)F)cc2C(C)(F)F)c1Cl
InChIInChI=1S/C19H24ClF5N4/c1-6-13-15(20)16(29(7-2)28-13)11-9-26-14(8-12(11)18(5,21)22)27-17(3,4)10-19(23,24)25/h8-9H,6-7,10H2,1-5H3,(H,26,27)
InChIKeyIBEYNZYILVUGIQ-UHFFFAOYSA-N
XLogP6.44
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.87
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
5-(4-chloro-1,3-diethylpyrazol-5-yl)-N-(1-cyclopropyl-2-methylpropan-2-yl)-4-(difluoromethoxy)pyridin-2-amine
CID 153296646
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-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-[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
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
carbon dioxide;2-chloro-5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
CID 161297245
4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-1,3-diethylpyrazole
CID 153295995
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-[2-(difluoromethoxy)-4-[(2S)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1,3-diethylpyrazole
CID 153295881

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(1,1-difluoroethyl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine?
The IUPAC name of 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) is 5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(1,1-difluoroethyl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(1,1-difluoroethyl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(1,1-difluoroethyl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine is CCc1nn(CC)c(-c2cnc(NC(C)(C)CC(F)(F)F)cc2C(C)(F)F)c1Cl.
What is the InChIKey of 5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(1,1-difluoroethyl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine?
The InChIKey is IBEYNZYILVUGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClF5N4/c1-6-13-15(20)16(29(7-2)28-13)11-9-26-14(8-12(11)18(5,21)22)27-17(3,4)10-19(23,24)25/h8-9H,6-7,10H2,1-5H3,(H,26,27).
What are the key properties of 5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(1,1-difluoroethyl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine?
5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(1,1-difluoroethyl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine has a molecular weight of 438.87 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(1,1-difluoroethyl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine is sourced from PubChem (CID 153296595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).