2-(6-methyl-3-pyridinyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]propan-2-amine

C15H19F3N4 — CID 167880025

IUPAC2-(6-methyl-3-pyridinyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]propan-2-amine
SMILESCc1ccc(C(C)(C)NCc2cc(C(F)(F)F)n(C)n2)cn1
InChIInChI=1S/C15H19F3N4/c1-10-5-6-11(8-19-10)14(2,3)20-9-12-7-13(15(16,17)18)22(4)21-12/h5-8,20H,9H2,1-4H3
InChIKeyCUZGSYXOXLDJIN-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.17
Rot. Bonds4

About 2-(6-methyl-3-pyridinyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]propan-2-amine

2-(6-methyl-3-pyridinyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]propan-2-amine (PubChem CID 167880025) has the molecular formula C15H19F3N4 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]propan-2-amine
PubChem CID167880025
Molecular FormulaC15H19F3N4
Molecular Weight312.34 g/mol
Exact Mass312.16
IUPAC Name2-(6-methyl-3-pyridinyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]propan-2-amine
SMILESCc1ccc(C(C)(C)NCc2cc(C(F)(F)F)n(C)n2)cn1
InChIInChI=1S/C15H19F3N4/c1-10-5-6-11(8-19-10)14(2,3)20-9-12-7-13(15(16,17)18)22(4)21-12/h5-8,20H,9H2,1-4H3
InChIKeyCUZGSYXOXLDJIN-UHFFFAOYSA-N
XLogP3.17
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-(6-methyl-3-pyridinyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]propan-2-amine (CID 167880025) is 2-(6-methyl-3-pyridinyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]propan-2-amine is Cc1ccc(C(C)(C)NCc2cc(C(F)(F)F)n(C)n2)cn1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]propan-2-amine?
The InChIKey is CUZGSYXOXLDJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4/c1-10-5-6-11(8-19-10)14(2,3)20-9-12-7-13(15(16,17)18)22(4)21-12/h5-8,20H,9H2,1-4H3.
What are the key properties of 2-(6-methyl-3-pyridinyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]propan-2-amine?
2-(6-methyl-3-pyridinyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]propan-2-amine has a molecular weight of 312.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 167880025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).