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

C10H18FN3 — CID 84668987

IUPAC2-[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]ethanamine
SMILESCC(C)(F)CCn1nccc1CCN
InChIInChI=1S/C10H18FN3/c1-10(2,11)5-8-14-9(3-6-12)4-7-13-14/h4,7H,3,5-6,8,12H2,1-2H3
InChIKeyLVENXRUEPYSVKG-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.52
Rot. Bonds5

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

2-[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]ethanamine (PubChem CID 84668987) has the molecular formula C10H18FN3 and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]ethanamine
PubChem CID84668987
Molecular FormulaC10H18FN3
Molecular Weight199.27 g/mol
Exact Mass199.15
IUPAC Name2-[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]ethanamine
SMILESCC(C)(F)CCn1nccc1CCN
InChIInChI=1S/C10H18FN3/c1-10(2,11)5-8-14-9(3-6-12)4-7-13-14/h4,7H,3,5-6,8,12H2,1-2H3
InChIKeyLVENXRUEPYSVKG-UHFFFAOYSA-N
XLogP1.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine
CID 84660191
2-[2-(3-fluoropropyl)pyrazol-3-yl]ethanamine
CID 84654115
2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethanamine
CID 84652253
2-[3-(3,3-difluorobutyl)triazol-4-yl]ethanamine
CID 84672158
5-(methoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole
CID 122170872
2-[1-(3,3-difluorobutyl)pyrrol-2-yl]ethanamine
CID 84670674
5-(3-bromopropyl)-1-propylpyrazole
CID 64506458
2-fluoro-3,3-dimethyl-2-(2-methylpyrazol-3-yl)butan-1-amine
CID 112566609
N-[[2-(3-methoxy-3-methylbutyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
CID 103037479
N'-methyl-N'-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 114556320
1-methoxy-2-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103007080
4,4,4-trifluoro-N-[(2-propylpyrazol-3-yl)methyl]butan-1-amine
CID 114555990

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]ethanamine?
The IUPAC name of 2-[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]ethanamine (CID 84668987) is 2-[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]ethanamine.
What is the SMILES notation for 2-[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]ethanamine?
The canonical SMILES for 2-[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]ethanamine is CC(C)(F)CCn1nccc1CCN.
What is the InChIKey of 2-[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]ethanamine?
The InChIKey is LVENXRUEPYSVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3/c1-10(2,11)5-8-14-9(3-6-12)4-7-13-14/h4,7H,3,5-6,8,12H2,1-2H3.
What are the key properties of 2-[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]ethanamine?
2-[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]ethanamine has a molecular weight of 199.27 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]ethanamine is sourced from PubChem (CID 84668987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).