4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-octan-2-ylpyridazin-3-amine

C18H26F3N5 — CID 175011615

IUPAC4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-octan-2-ylpyridazin-3-amine
SMILESCCCCCCC(C)c1c(-c2cc(C(F)(F)F)nn2C)nnc(N)c1C
InChIInChI=1S/C18H26F3N5/c1-5-6-7-8-9-11(2)15-12(3)17(22)24-23-16(15)13-10-14(18(19,20)21)25-26(13)4/h10-11H,5-9H2,1-4H3,(H2,22,24)
InChIKeyPXEIDZGPAZUDFB-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.86
Rot. Bonds7

About 4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-octan-2-ylpyridazin-3-amine

4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-octan-2-ylpyridazin-3-amine (PubChem CID 175011615) has the molecular formula C18H26F3N5 and a molecular weight of 369.44 g/mol. Its IUPAC name is 4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-octan-2-ylpyridazin-3-amine.

Molecular Properties

Compound Name4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-octan-2-ylpyridazin-3-amine
PubChem CID175011615
Molecular FormulaC18H26F3N5
Molecular Weight369.44 g/mol
Exact Mass369.21
IUPAC Name4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-octan-2-ylpyridazin-3-amine
SMILESCCCCCCC(C)c1c(-c2cc(C(F)(F)F)nn2C)nnc(N)c1C
InChIInChI=1S/C18H26F3N5/c1-5-6-7-8-9-11(2)15-12(3)17(22)24-23-16(15)13-10-14(18(19,20)21)25-26(13)4/h10-11H,5-9H2,1-4H3,(H2,22,24)
InChIKeyPXEIDZGPAZUDFB-UHFFFAOYSA-N
XLogP4.86
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-octan-2-ylpyridazin-3-amine?
The IUPAC name of 4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-octan-2-ylpyridazin-3-amine (CID 175011615) is 4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-octan-2-ylpyridazin-3-amine.
What is the SMILES notation for 4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-octan-2-ylpyridazin-3-amine?
The canonical SMILES for 4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-octan-2-ylpyridazin-3-amine is CCCCCCC(C)c1c(-c2cc(C(F)(F)F)nn2C)nnc(N)c1C.
What is the InChIKey of 4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-octan-2-ylpyridazin-3-amine?
The InChIKey is PXEIDZGPAZUDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N5/c1-5-6-7-8-9-11(2)15-12(3)17(22)24-23-16(15)13-10-14(18(19,20)21)25-26(13)4/h10-11H,5-9H2,1-4H3,(H2,22,24).
What are the key properties of 4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-octan-2-ylpyridazin-3-amine?
4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-octan-2-ylpyridazin-3-amine has a molecular weight of 369.44 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-octan-2-ylpyridazin-3-amine is sourced from PubChem (CID 175011615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).