N-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine

C22H17F3N4O — CID 146291307

IUPACN-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESFC(F)(F)c1cc(NCc2cc(-c3ccc(Oc4ccccc4)cc3)n[nH]2)ccn1
InChIInChI=1S/C22H17F3N4O/c23-22(24,25)21-13-16(10-11-26-21)27-14-17-12-20(29-28-17)15-6-8-19(9-7-15)30-18-4-2-1-3-5-18/h1-13H,14H2,(H,26,27)(H,28,29)
InChIKeyOSDPGQVDZYFJBO-UHFFFAOYSA-N
MW410.40 g/mol
LogP5.89
Rot. Bonds6

About N-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine

N-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 146291307) has the molecular formula C22H17F3N4O and a molecular weight of 410.40 g/mol. Its IUPAC name is N-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
PubChem CID146291307
Molecular FormulaC22H17F3N4O
Molecular Weight410.40 g/mol
Exact Mass410.14
IUPAC NameN-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESFC(F)(F)c1cc(NCc2cc(-c3ccc(Oc4ccccc4)cc3)n[nH]2)ccn1
InChIInChI=1S/C22H17F3N4O/c23-22(24,25)21-13-16(10-11-26-21)27-14-17-12-20(29-28-17)15-6-8-19(9-7-15)30-18-4-2-1-3-5-18/h1-13H,14H2,(H,26,27)(H,28,29)
InChIKeyOSDPGQVDZYFJBO-UHFFFAOYSA-N
XLogP5.89
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-((4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11610553
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2-[4-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9901964
4-{2-[(4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-pyridin-2-yl}-phenyl)oxy]ethyl}morpholine
CID 11604319
5-{5-[(2S)-2-amino-3-[4-(trifluoromethoxy)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731505
Pyrazole, 19
CID 44234930
3-Cyclobutyl-7-([5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy}-2,3,4,5-tetrahydro-1H-3-benzazepine
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Jnj-42259152
CID 51353528
1-(4-fluorophenyl)-4-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812599
N-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-propylpiperidin-4-amine
CID 16190345
N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
CID 146293510
1-[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189779

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of N-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine (CID 146291307) is N-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for N-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for N-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine is FC(F)(F)c1cc(NCc2cc(-c3ccc(Oc4ccccc4)cc3)n[nH]2)ccn1.
What is the InChIKey of N-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The InChIKey is OSDPGQVDZYFJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O/c23-22(24,25)21-13-16(10-11-26-21)27-14-17-12-20(29-28-17)15-6-8-19(9-7-15)30-18-4-2-1-3-5-18/h1-13H,14H2,(H,26,27)(H,28,29).
What are the key properties of N-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
N-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 410.40 g/mol, XLogP of 5.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 146291307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).