6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine

C18H14F6N4 — CID 71473913

IUPAC6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine
SMILESCCn1nc(C(F)(F)F)cc1-c1ccc(NCc2c(F)cc(F)cc2F)cn1
InChIInChI=1S/C18H14F6N4/c1-2-28-16(7-17(27-28)18(22,23)24)15-4-3-11(8-26-15)25-9-12-13(20)5-10(19)6-14(12)21/h3-8,25H,2,9H2,1H3
InChIKeySGEFAKQWEPCEQI-UHFFFAOYSA-N
MW400.33 g/mol
LogP5.01
Rot. Bonds5

About 6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine

6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine (PubChem CID 71473913) has the molecular formula C18H14F6N4 and a molecular weight of 400.33 g/mol. Its IUPAC name is 6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine
PubChem CID71473913
Molecular FormulaC18H14F6N4
Molecular Weight400.33 g/mol
Exact Mass400.11
IUPAC Name6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine
SMILESCCn1nc(C(F)(F)F)cc1-c1ccc(NCc2c(F)cc(F)cc2F)cn1
InChIInChI=1S/C18H14F6N4/c1-2-28-16(7-17(27-28)18(22,23)24)15-4-3-11(8-26-15)25-9-12-13(20)5-10(19)6-14(12)21/h3-8,25H,2,9H2,1H3
InChIKeySGEFAKQWEPCEQI-UHFFFAOYSA-N
XLogP5.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.33
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine?
The IUPAC name of 6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine (CID 71473913) is 6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine?
The canonical SMILES for 6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine is CCn1nc(C(F)(F)F)cc1-c1ccc(NCc2c(F)cc(F)cc2F)cn1.
What is the InChIKey of 6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine?
The InChIKey is SGEFAKQWEPCEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F6N4/c1-2-28-16(7-17(27-28)18(22,23)24)15-4-3-11(8-26-15)25-9-12-13(20)5-10(19)6-14(12)21/h3-8,25H,2,9H2,1H3.
What are the key properties of 6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine?
6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine has a molecular weight of 400.33 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 71473913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).