ethane;3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutan-1-amine

C11H18F3N3 — CID 153355444

IUPACethane;3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutan-1-amine
SMILESCC.NC1CC(Cn2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C9H12F3N3.C2H6/c10-9(11,12)8-1-2-15(14-8)5-6-3-7(13)4-6;1-2/h1-2,6-7H,3-5,13H2;1-2H3
InChIKeyPRLCOYGAPDVWPY-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.67
Rot. Bonds2

About ethane;3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutan-1-amine

ethane;3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutan-1-amine (PubChem CID 153355444) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is ethane;3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Nameethane;3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutan-1-amine
PubChem CID153355444
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Nameethane;3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutan-1-amine
SMILESCC.NC1CC(Cn2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C9H12F3N3.C2H6/c10-9(11,12)8-1-2-15(14-8)5-6-3-7(13)4-6;1-2/h1-2,6-7H,3-5,13H2;1-2H3
InChIKeyPRLCOYGAPDVWPY-UHFFFAOYSA-N
XLogP2.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobutylmethyl)-3-(trifluoromethyl)pyrazole
CID 115761326
1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 62371096
N'-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]methanimidamide
CID 162571080
trifluoro-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]boranuide
CID 63702049
1-[(E)-but-2-enyl]-3-(trifluoromethyl)pyrazole
CID 116621378
2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2809216
1-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyrazole
CID 116621367
1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 63912882
N,N-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
CID 162611382
N-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 115593407
N,N-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
CID 114526778
trimethyl-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]silane
CID 103438540

Frequently Asked Questions

What is the IUPAC name of ethane;3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutan-1-amine?
The IUPAC name of ethane;3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutan-1-amine (CID 153355444) is ethane;3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for ethane;3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for ethane;3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutan-1-amine is CC.NC1CC(Cn2ccc(C(F)(F)F)n2)C1.
What is the InChIKey of ethane;3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutan-1-amine?
The InChIKey is PRLCOYGAPDVWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3.C2H6/c10-9(11,12)8-1-2-15(14-8)5-6-3-7(13)4-6;1-2/h1-2,6-7H,3-5,13H2;1-2H3.
What are the key properties of ethane;3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutan-1-amine?
ethane;3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutan-1-amine has a molecular weight of 249.28 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 153355444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).