N-[(2,6-difluorophenyl)methyl]-6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine

C18H15F5N4 — CID 71113175

IUPACN-[(2,6-difluorophenyl)methyl]-6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine
SMILESCCn1nc(C(F)(F)F)cc1-c1ccc(NCc2c(F)cccc2F)cn1
InChIInChI=1S/C18H15F5N4/c1-2-27-16(8-17(26-27)18(21,22)23)15-7-6-11(9-25-15)24-10-12-13(19)4-3-5-14(12)20/h3-9,24H,2,10H2,1H3
InChIKeyLRYKFWHCVGXLFS-UHFFFAOYSA-N
MW382.34 g/mol
LogP4.87
Rot. Bonds5

About N-[(2,6-difluorophenyl)methyl]-6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine

N-[(2,6-difluorophenyl)methyl]-6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine (PubChem CID 71113175) has the molecular formula C18H15F5N4 and a molecular weight of 382.34 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine
PubChem CID71113175
Molecular FormulaC18H15F5N4
Molecular Weight382.34 g/mol
Exact Mass382.12
IUPAC NameN-[(2,6-difluorophenyl)methyl]-6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine
SMILESCCn1nc(C(F)(F)F)cc1-c1ccc(NCc2c(F)cccc2F)cn1
InChIInChI=1S/C18H15F5N4/c1-2-27-16(8-17(26-27)18(21,22)23)15-7-6-11(9-25-15)24-10-12-13(19)4-3-5-14(12)20/h3-9,24H,2,10H2,1H3
InChIKeyLRYKFWHCVGXLFS-UHFFFAOYSA-N
XLogP4.87
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
CID 3575503
2-(4-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 9858084
3-(3-Pyridin-2-yl-pyrazol-1-yl)-benzonitrile
CID 10192768
(3-(pyridin-3-yl)-1H-pyrazol-5-yl)methanamine
CID 11993870
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 73504556
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-(pyrazin-2-ylmethyl)indazole
CID 73504557
(1S,3R)-N-((1-ethyl-5-(5-fluoro-6-methylpyridin-3-yl)-4-methyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270907
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1-isopropyl-4-methyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45273531
N-(2-(2,5-difluorophenyl)-5-methylpyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671061
7-Fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 134611927

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine (CID 71113175) is N-[(2,6-difluorophenyl)methyl]-6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine is CCn1nc(C(F)(F)F)cc1-c1ccc(NCc2c(F)cccc2F)cn1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine?
The InChIKey is LRYKFWHCVGXLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F5N4/c1-2-27-16(8-17(26-27)18(21,22)23)15-7-6-11(9-25-15)24-10-12-13(19)4-3-5-14(12)20/h3-9,24H,2,10H2,1H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine?
N-[(2,6-difluorophenyl)methyl]-6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine has a molecular weight of 382.34 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 71113175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).