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

C10H18FN3O — CID 122165875

IUPACN-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1c(C)nn(C)c1F
InChIInChI=1S/C10H18FN3O/c1-8-9(10(11)14(2)13-8)7-12-5-4-6-15-3/h12H,4-7H2,1-3H3
InChIKeyVENUXCUVVWKYMA-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.99
Rot. Bonds6

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

N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxypropan-1-amine (PubChem CID 122165875) has the molecular formula C10H18FN3O and a molecular weight of 215.27 g/mol. Its IUPAC name is N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxypropan-1-amine
PubChem CID122165875
Molecular FormulaC10H18FN3O
Molecular Weight215.27 g/mol
Exact Mass215.14
IUPAC NameN-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1c(C)nn(C)c1F
InChIInChI=1S/C10H18FN3O/c1-8-9(10(11)14(2)13-8)7-12-5-4-6-15-3/h12H,4-7H2,1-3H3
InChIKeyVENUXCUVVWKYMA-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxypropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxypropan-1-amine (CID 122165875) is N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxypropan-1-amine is COCCCNCc1c(C)nn(C)c1F.
What is the InChIKey of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxypropan-1-amine?
The InChIKey is VENUXCUVVWKYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3O/c1-8-9(10(11)14(2)13-8)7-12-5-4-6-15-3/h12H,4-7H2,1-3H3.
What are the key properties of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxypropan-1-amine?
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxypropan-1-amine has a molecular weight of 215.27 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 122165875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).