3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine

C9H12F3N3 — CID 79643705

IUPAC3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine
SMILESNC1CCC(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C9H12F3N3/c10-9(11,12)8-3-4-15(14-8)7-2-1-6(13)5-7/h3-4,6-7H,1-2,5,13H2
InChIKeyIGIXJLWZASHVPR-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.95
Rot. Bonds1

About 3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine

3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine (PubChem CID 79643705) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine
PubChem CID79643705
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine
SMILESNC1CCC(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C9H12F3N3/c10-9(11,12)8-3-4-15(14-8)7-2-1-6(13)5-7/h3-4,6-7H,1-2,5,13H2
InChIKeyIGIXJLWZASHVPR-UHFFFAOYSA-N
XLogP1.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine?
The IUPAC name of 3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine (CID 79643705) is 3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine.
What is the SMILES notation for 3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine?
The canonical SMILES for 3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine is NC1CCC(n2ccc(C(F)(F)F)n2)C1.
What is the InChIKey of 3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine?
The InChIKey is IGIXJLWZASHVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c10-9(11,12)8-3-4-15(14-8)7-2-1-6(13)5-7/h3-4,6-7H,1-2,5,13H2.
What are the key properties of 3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine?
3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine has a molecular weight of 219.21 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine is sourced from PubChem (CID 79643705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).