N-[(1-methylpyrazol-4-yl)methyl]-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C19H15F3N6O — CID 70749318

IUPACN-[(1-methylpyrazol-4-yl)methyl]-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCn1cc(CNc2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cn2)cn1
InChIInChI=1S/C19H15F3N6O/c1-28-11-12(9-25-28)8-23-16-6-5-14(10-24-16)18-26-17(27-29-18)13-3-2-4-15(7-13)19(20,21)22/h2-7,9-11H,8H2,1H3,(H,23,24)
InChIKeyXYQWMWSXFIEICC-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.16
Rot. Bonds5

About N-[(1-methylpyrazol-4-yl)methyl]-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine

N-[(1-methylpyrazol-4-yl)methyl]-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 70749318) has the molecular formula C19H15F3N6O and a molecular weight of 400.36 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID70749318
Molecular FormulaC19H15F3N6O
Molecular Weight400.36 g/mol
Exact Mass400.13
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCn1cc(CNc2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cn2)cn1
InChIInChI=1S/C19H15F3N6O/c1-28-11-12(9-25-28)8-23-16-6-5-14(10-24-16)18-26-17(27-29-18)13-3-2-4-15(7-13)19(20,21)22/h2-7,9-11H,8H2,1H3,(H,23,24)
InChIKeyXYQWMWSXFIEICC-UHFFFAOYSA-N
XLogP4.16
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 70749318) is N-[(1-methylpyrazol-4-yl)methyl]-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine is Cn1cc(CNc2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cn2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is XYQWMWSXFIEICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O/c1-28-11-12(9-25-28)8-23-16-6-5-14(10-24-16)18-26-17(27-29-18)13-3-2-4-15(7-13)19(20,21)22/h2-7,9-11H,8H2,1H3,(H,23,24).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
N-[(1-methylpyrazol-4-yl)methyl]-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 400.36 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 70749318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).