4-[(2,5-dimethylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine

C12H22FN3O — CID 103392687

IUPAC4-[(2,5-dimethylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)Cc1cc(C)nn1C
InChIInChI=1S/C12H22FN3O/c1-10-7-11(16(2)15-10)8-12(13,9-17-3)5-4-6-14/h7H,4-6,8-9,14H2,1-3H3
InChIKeySOQVQHKWFHAVCX-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.36
Rot. Bonds7

About 4-[(2,5-dimethylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine

4-[(2,5-dimethylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine (PubChem CID 103392687) has the molecular formula C12H22FN3O and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-[(2,5-dimethylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-[(2,5-dimethylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
PubChem CID103392687
Molecular FormulaC12H22FN3O
Molecular Weight243.33 g/mol
Exact Mass243.17
IUPAC Name4-[(2,5-dimethylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)Cc1cc(C)nn1C
InChIInChI=1S/C12H22FN3O/c1-10-7-11(16(2)15-10)8-12(13,9-17-3)5-4-6-14/h7H,4-6,8-9,14H2,1-3H3
InChIKeySOQVQHKWFHAVCX-UHFFFAOYSA-N
XLogP1.36
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-[(2,5-dimethylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine (CID 103392687) is 4-[(2,5-dimethylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-[(2,5-dimethylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-[(2,5-dimethylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine is COCC(F)(CCCN)Cc1cc(C)nn1C.
What is the InChIKey of 4-[(2,5-dimethylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is SOQVQHKWFHAVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN3O/c1-10-7-11(16(2)15-10)8-12(13,9-17-3)5-4-6-14/h7H,4-6,8-9,14H2,1-3H3.
What are the key properties of 4-[(2,5-dimethylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
4-[(2,5-dimethylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 243.33 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylpyrazol-3-yl)methyl]-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 103392687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).