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

C10H18FN3O — CID 115732987

IUPAC3-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCOc1c(CNCCCF)c(C)nn1C
InChIInChI=1S/C10H18FN3O/c1-8-9(7-12-6-4-5-11)10(15-3)14(2)13-8/h12H,4-7H2,1-3H3
InChIKeyYYUHRJYLZQQSKX-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.19
Rot. Bonds6

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

3-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 115732987) has the molecular formula C10H18FN3O and a molecular weight of 215.27 g/mol. Its IUPAC name is 3-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID115732987
Molecular FormulaC10H18FN3O
Molecular Weight215.27 g/mol
Exact Mass215.14
IUPAC Name3-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCOc1c(CNCCCF)c(C)nn1C
InChIInChI=1S/C10H18FN3O/c1-8-9(7-12-6-4-5-11)10(15-3)14(2)13-8/h12H,4-7H2,1-3H3
InChIKeyYYUHRJYLZQQSKX-UHFFFAOYSA-N
XLogP1.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine (CID 115732987) is 3-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine is COc1c(CNCCCF)c(C)nn1C.
What is the InChIKey of 3-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is YYUHRJYLZQQSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3O/c1-8-9(7-12-6-4-5-11)10(15-3)14(2)13-8/h12H,4-7H2,1-3H3.
What are the key properties of 3-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine?
3-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 215.27 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 115732987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).