4,4,4-trifluoro-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-amine

C9H11F6N3 — CID 103312218

IUPAC4,4,4-trifluoro-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-amine
SMILESCn1ccc(CC(N)C(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C9H11F6N3/c1-18-3-2-5(17-18)4-6(16)7(8(10,11)12)9(13,14)15/h2-3,6-7H,4,16H2,1H3
InChIKeyGLNURZYVAYITJS-UHFFFAOYSA-N
MW275.20 g/mol
LogP2.03
Rot. Bonds3

About 4,4,4-trifluoro-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-amine

4,4,4-trifluoro-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-amine (PubChem CID 103312218) has the molecular formula C9H11F6N3 and a molecular weight of 275.20 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-amine
PubChem CID103312218
Molecular FormulaC9H11F6N3
Molecular Weight275.20 g/mol
Exact Mass275.09
IUPAC Name4,4,4-trifluoro-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-amine
SMILESCn1ccc(CC(N)C(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C9H11F6N3/c1-18-3-2-5(17-18)4-6(16)7(8(10,11)12)9(13,14)15/h2-3,6-7H,4,16H2,1H3
InChIKeyGLNURZYVAYITJS-UHFFFAOYSA-N
XLogP2.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-butan-2-ylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312016
2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 112562653
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-amine
CID 82870753
4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine
CID 82868697
1-methoxy-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876471
1-cyclopropyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876061
2-(1-methylpyrazol-3-yl)-1-(1,3-thiazol-5-yl)ethanamine
CID 82878134
3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 82876806
3-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82878052
2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923732
N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-2-amine
CID 105239262
3-(3-chloro-2-methylbutyl)-1-methylpyrazole
CID 82876102

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-amine (CID 103312218) is 4,4,4-trifluoro-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-amine is Cn1ccc(CC(N)C(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 4,4,4-trifluoro-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-amine?
The InChIKey is GLNURZYVAYITJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F6N3/c1-18-3-2-5(17-18)4-6(16)7(8(10,11)12)9(13,14)15/h2-3,6-7H,4,16H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-amine?
4,4,4-trifluoro-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-amine has a molecular weight of 275.20 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-amine is sourced from PubChem (CID 103312218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).