[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine

C9H16FN3 — CID 84660191

IUPAC[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine
SMILESCC(C)(F)CCn1nccc1CN
InChIInChI=1S/C9H16FN3/c1-9(2,10)4-6-13-8(7-11)3-5-12-13/h3,5H,4,6-7,11H2,1-2H3
InChIKeyPACONRDWXODEQK-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.48
Rot. Bonds4

About [2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine

[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine (PubChem CID 84660191) has the molecular formula C9H16FN3 and a molecular weight of 185.25 g/mol. Its IUPAC name is [2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine
PubChem CID84660191
Molecular FormulaC9H16FN3
Molecular Weight185.25 g/mol
Exact Mass185.13
IUPAC Name[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine
SMILESCC(C)(F)CCn1nccc1CN
InChIInChI=1S/C9H16FN3/c1-9(2,10)4-6-13-8(7-11)3-5-12-13/h3,5H,4,6-7,11H2,1-2H3
InChIKeyPACONRDWXODEQK-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 [2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine?
The IUPAC name of [2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine (CID 84660191) is [2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine is CC(C)(F)CCn1nccc1CN.
What is the InChIKey of [2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine?
The InChIKey is PACONRDWXODEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3/c1-9(2,10)4-6-13-8(7-11)3-5-12-13/h3,5H,4,6-7,11H2,1-2H3.
What are the key properties of [2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine?
[2-(3-fluoro-3-methylbutyl)pyrazol-3-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 [2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 84660191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).