1-(1,5-dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine

C9H14F3N3 — CID 105156405

IUPAC1-(1,5-dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine
SMILESCc1c(C(N)CCC(F)(F)F)cnn1C
InChIInChI=1S/C9H14F3N3/c1-6-7(5-14-15(6)2)8(13)3-4-9(10,11)12/h5,8H,3-4,13H2,1-2H3
InChIKeyUFWLGHHTKGEKAI-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.07
Rot. Bonds3

About 1-(1,5-dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine

1-(1,5-dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine (PubChem CID 105156405) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine
PubChem CID105156405
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine
SMILESCc1c(C(N)CCC(F)(F)F)cnn1C
InChIInChI=1S/C9H14F3N3/c1-6-7(5-14-15(6)2)8(13)3-4-9(10,11)12/h5,8H,3-4,13H2,1-2H3
InChIKeyUFWLGHHTKGEKAI-UHFFFAOYSA-N
XLogP2.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)pent-4-en-1-amine
CID 105153472
1-(1,5-dimethylpyrazol-4-yl)heptan-1-amine
CID 105126212
1-(1,5-dimethylpyrazol-4-yl)pent-3-yn-1-amine
CID 105112423
4,4,4-trifluoro-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114688588
(3S)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79583983
1-(1,5-dimethylpyrazol-4-yl)but-3-en-1-amine
CID 105108352
1-(1,5-dimethylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150310
ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate
CID 79584174
1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 105114026
(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 96635093
(1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol
CID 96631923
4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-amine
CID 79952736

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine (CID 105156405) is 1-(1,5-dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine is Cc1c(C(N)CCC(F)(F)F)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is UFWLGHHTKGEKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-6-7(5-14-15(6)2)8(13)3-4-9(10,11)12/h5,8H,3-4,13H2,1-2H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine?
1-(1,5-dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 221.23 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 105156405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).