2,2,3,3-tetrafluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine

C10H15F4N3O — CID 99834464

IUPAC2,2,3,3-tetrafluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCOc1c(CNCC(F)(F)C(F)F)c(C)nn1C
InChIInChI=1S/C10H15F4N3O/c1-6-7(8(18-3)17(2)16-6)4-15-5-10(13,14)9(11)12/h9,15H,4-5H2,1-3H3
InChIKeyBHKKHBGDHIPSTF-UHFFFAOYSA-N
MW269.24 g/mol
LogP1.73
Rot. Bonds6

About 2,2,3,3-tetrafluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine

2,2,3,3-tetrafluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 99834464) has the molecular formula C10H15F4N3O and a molecular weight of 269.24 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID99834464
Molecular FormulaC10H15F4N3O
Molecular Weight269.24 g/mol
Exact Mass269.12
IUPAC Name2,2,3,3-tetrafluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCOc1c(CNCC(F)(F)C(F)F)c(C)nn1C
InChIInChI=1S/C10H15F4N3O/c1-6-7(8(18-3)17(2)16-6)4-15-5-10(13,14)9(11)12/h9,15H,4-5H2,1-3H3
InChIKeyBHKKHBGDHIPSTF-UHFFFAOYSA-N
XLogP1.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine (CID 99834464) is 2,2,3,3-tetrafluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine is COc1c(CNCC(F)(F)C(F)F)c(C)nn1C.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is BHKKHBGDHIPSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F4N3O/c1-6-7(8(18-3)17(2)16-6)4-15-5-10(13,14)9(11)12/h9,15H,4-5H2,1-3H3.
What are the key properties of 2,2,3,3-tetrafluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine?
2,2,3,3-tetrafluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 269.24 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 99834464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).