N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine

C19H16F2N6O — CID 45169458

IUPACN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(NCc1cn[nH]c1-c1ccc(F)cc1F)c1nc(-c2ccncc2)no1
InChIInChI=1S/C19H16F2N6O/c1-11(19-25-18(27-28-19)12-4-6-22-7-5-12)23-9-13-10-24-26-17(13)15-3-2-14(20)8-16(15)21/h2-8,10-11,23H,9H2,1H3,(H,24,26)
InChIKeyCBNDLCBAEXFLJN-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.65
Rot. Bonds6

About N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine

N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 45169458) has the molecular formula C19H16F2N6O and a molecular weight of 382.37 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID45169458
Molecular FormulaC19H16F2N6O
Molecular Weight382.37 g/mol
Exact Mass382.14
IUPAC NameN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(NCc1cn[nH]c1-c1ccc(F)cc1F)c1nc(-c2ccncc2)no1
InChIInChI=1S/C19H16F2N6O/c1-11(19-25-18(27-28-19)12-4-6-22-7-5-12)23-9-13-10-24-26-17(13)15-3-2-14(20)8-16(15)21/h2-8,10-11,23H,9H2,1H3,(H,24,26)
InChIKeyCBNDLCBAEXFLJN-UHFFFAOYSA-N
XLogP3.65
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 29210748
N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79484685
[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methanamine
CID 79488160
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-phenyl-1,3-thiazol-4-yl)methanamine
CID 42529390
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(4-fluorophenyl)-1-pyridin-4-ylmethanamine
CID 45218220
2-(2,4-dichlorophenyl)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 49179679
N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 50963215
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 60672878
(1S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81395317
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 70757308
(1S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2,4-difluorophenyl)ethanamine
CID 8688209
(1R)-1-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 82625186

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine (CID 45169458) is N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine is CC(NCc1cn[nH]c1-c1ccc(F)cc1F)c1nc(-c2ccncc2)no1.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is CBNDLCBAEXFLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O/c1-11(19-25-18(27-28-19)12-4-6-22-7-5-12)23-9-13-10-24-26-17(13)15-3-2-14(20)8-16(15)21/h2-8,10-11,23H,9H2,1H3,(H,24,26).
What are the key properties of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine?
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 382.37 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 45169458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).