6-(2-ethyl-5-methylpyrazol-3-yl)-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine

C18H17F3N4 — CID 71105480

IUPAC6-(2-ethyl-5-methylpyrazol-3-yl)-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine
SMILESCCn1nc(C)cc1-c1ccc(NCc2c(F)cc(F)cc2F)cn1
InChIInChI=1S/C18H17F3N4/c1-3-25-18(6-11(2)24-25)17-5-4-13(9-23-17)22-10-14-15(20)7-12(19)8-16(14)21/h4-9,22H,3,10H2,1-2H3
InChIKeyZDEJGYXIVBZUFV-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.30
Rot. Bonds5

About 6-(2-ethyl-5-methylpyrazol-3-yl)-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine

6-(2-ethyl-5-methylpyrazol-3-yl)-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine (PubChem CID 71105480) has the molecular formula C18H17F3N4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 6-(2-ethyl-5-methylpyrazol-3-yl)-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-(2-ethyl-5-methylpyrazol-3-yl)-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine
PubChem CID71105480
Molecular FormulaC18H17F3N4
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name6-(2-ethyl-5-methylpyrazol-3-yl)-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine
SMILESCCn1nc(C)cc1-c1ccc(NCc2c(F)cc(F)cc2F)cn1
InChIInChI=1S/C18H17F3N4/c1-3-25-18(6-11(2)24-25)17-5-4-13(9-23-17)22-10-14-15(20)7-12(19)8-16(14)21/h4-9,22H,3,10H2,1-2H3
InChIKeyZDEJGYXIVBZUFV-UHFFFAOYSA-N
XLogP4.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-5-methylpyrazol-3-yl)-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine?
The IUPAC name of 6-(2-ethyl-5-methylpyrazol-3-yl)-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine (CID 71105480) is 6-(2-ethyl-5-methylpyrazol-3-yl)-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-(2-ethyl-5-methylpyrazol-3-yl)-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine?
The canonical SMILES for 6-(2-ethyl-5-methylpyrazol-3-yl)-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine is CCn1nc(C)cc1-c1ccc(NCc2c(F)cc(F)cc2F)cn1.
What is the InChIKey of 6-(2-ethyl-5-methylpyrazol-3-yl)-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine?
The InChIKey is ZDEJGYXIVBZUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4/c1-3-25-18(6-11(2)24-25)17-5-4-13(9-23-17)22-10-14-15(20)7-12(19)8-16(14)21/h4-9,22H,3,10H2,1-2H3.
What are the key properties of 6-(2-ethyl-5-methylpyrazol-3-yl)-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine?
6-(2-ethyl-5-methylpyrazol-3-yl)-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine has a molecular weight of 346.36 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-5-methylpyrazol-3-yl)-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 71105480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).