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

C18H16F4N4 — CID 71112740

IUPAC6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2-fluorophenyl)methyl]pyridin-3-amine
SMILESCCn1nc(C(F)(F)F)cc1-c1ccc(NCc2ccccc2F)cn1
InChIInChI=1S/C18H16F4N4/c1-2-26-16(9-17(25-26)18(20,21)22)15-8-7-13(11-24-15)23-10-12-5-3-4-6-14(12)19/h3-9,11,23H,2,10H2,1H3
InChIKeyLVINYKJQMUCKRG-UHFFFAOYSA-N
MW364.35 g/mol
LogP4.74
Rot. Bonds5

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

6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2-fluorophenyl)methyl]pyridin-3-amine (PubChem CID 71112740) has the molecular formula C18H16F4N4 and a molecular weight of 364.35 g/mol. Its IUPAC name is 6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2-fluorophenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2-fluorophenyl)methyl]pyridin-3-amine
PubChem CID71112740
Molecular FormulaC18H16F4N4
Molecular Weight364.35 g/mol
Exact Mass364.13
IUPAC Name6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2-fluorophenyl)methyl]pyridin-3-amine
SMILESCCn1nc(C(F)(F)F)cc1-c1ccc(NCc2ccccc2F)cn1
InChIInChI=1S/C18H16F4N4/c1-2-26-16(9-17(25-26)18(20,21)22)15-8-7-13(11-24-15)23-10-12-5-3-4-6-14(12)19/h3-9,11,23H,2,10H2,1H3
InChIKeyLVINYKJQMUCKRG-UHFFFAOYSA-N
XLogP4.74
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.74
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-fluorophenyl)methyl]pyridin-3-amine?
The IUPAC name of 6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2-fluorophenyl)methyl]pyridin-3-amine (CID 71112740) is 6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2-fluorophenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2-fluorophenyl)methyl]pyridin-3-amine?
The canonical SMILES for 6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2-fluorophenyl)methyl]pyridin-3-amine is CCn1nc(C(F)(F)F)cc1-c1ccc(NCc2ccccc2F)cn1.
What is the InChIKey of 6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2-fluorophenyl)methyl]pyridin-3-amine?
The InChIKey is LVINYKJQMUCKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N4/c1-2-26-16(9-17(25-26)18(20,21)22)15-8-7-13(11-24-15)23-10-12-5-3-4-6-14(12)19/h3-9,11,23H,2,10H2,1H3.
What are the key properties of 6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2-fluorophenyl)methyl]pyridin-3-amine?
6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[(2-fluorophenyl)methyl]pyridin-3-amine has a molecular weight of 364.35 g/mol, XLogP of 4.74, 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-fluorophenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 71112740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).