[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]methanamine

C9H16FN3 — CID 84660183

IUPAC[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]methanamine
SMILESCC(C)(F)CCn1cc(CN)cn1
InChIInChI=1S/C9H16FN3/c1-9(2,10)3-4-13-7-8(5-11)6-12-13/h6-7H,3-5,11H2,1-2H3
InChIKeyNHPHBQBKAIENDO-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.48
Rot. Bonds4

About [1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]methanamine

[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]methanamine (PubChem CID 84660183) has the molecular formula C9H16FN3 and a molecular weight of 185.25 g/mol. Its IUPAC name is [1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]methanamine
PubChem CID84660183
Molecular FormulaC9H16FN3
Molecular Weight185.25 g/mol
Exact Mass185.13
IUPAC Name[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]methanamine
SMILESCC(C)(F)CCn1cc(CN)cn1
InChIInChI=1S/C9H16FN3/c1-9(2,10)3-4-13-7-8(5-11)6-12-13/h6-7H,3-5,11H2,1-2H3
InChIKeyNHPHBQBKAIENDO-UHFFFAOYSA-N
XLogP1.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]methanamine (CID 84660183) is [1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]methanamine is CC(C)(F)CCn1cc(CN)cn1.
What is the InChIKey of [1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]methanamine?
The InChIKey is NHPHBQBKAIENDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3/c1-9(2,10)3-4-13-7-8(5-11)6-12-13/h6-7H,3-5,11H2,1-2H3.
What are the key properties of [1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]methanamine?
[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]methanamine has a molecular weight of 185.25 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 84660183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).