1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine

C11H18F3N3 — CID 113327318

IUPAC1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cnn(CCCC(F)(F)F)c1
InChIInChI=1S/C11H18F3N3/c1-2-10(15)6-9-7-16-17(8-9)5-3-4-11(12,13)14/h7-8,10H,2-6,15H2,1H3
InChIKeyUGLFORBPQWKKAX-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.51
Rot. Bonds6

About 1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine

1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine (PubChem CID 113327318) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine
PubChem CID113327318
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Name1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cnn(CCCC(F)(F)F)c1
InChIInChI=1S/C11H18F3N3/c1-2-10(15)6-9-7-16-17(8-9)5-3-4-11(12,13)14/h7-8,10H,2-6,15H2,1H3
InChIKeyUGLFORBPQWKKAX-UHFFFAOYSA-N
XLogP2.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-pentylpyrazol-4-yl)butan-2-amine
CID 62731678
5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 79954244
1-[1-(cyclopropylmethyl)pyrazol-4-yl]butan-2-amine
CID 62731862
1-[1-(2-ethylhexyl)pyrazol-4-yl]butan-2-amine
CID 62731697
1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]butan-2-amine
CID 62731684
4-bromo-1-(4,4,4-trifluorobutyl)pyrazole
CID 115517822
N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]ethanamine
CID 115518233
2-methoxy-N-[[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]methyl]ethanamine
CID 113327305
2-amino-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 64571799
1-(1-ethylpyrazol-4-yl)-4-methylhexan-2-amine
CID 115822655
1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]butan-2-amine
CID 62731349
1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-2-amine
CID 103037086

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine?
The IUPAC name of 1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine (CID 113327318) is 1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine is CCC(N)Cc1cnn(CCCC(F)(F)F)c1.
What is the InChIKey of 1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine?
The InChIKey is UGLFORBPQWKKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3/c1-2-10(15)6-9-7-16-17(8-9)5-3-4-11(12,13)14/h7-8,10H,2-6,15H2,1H3.
What are the key properties of 1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine?
1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine has a molecular weight of 249.28 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine is sourced from PubChem (CID 113327318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).