N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine

C12H18F3N3 — CID 62566199

IUPACN-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine
SMILESCC(CNC1CCCC1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3/c1-9(8-16-10-4-2-3-5-10)18-7-6-11(17-18)12(13,14)15/h6-7,9-10,16H,2-5,8H2,1H3
InChIKeyBWVZUHXOWXDFGM-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.00
Rot. Bonds4

About N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine

N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine (PubChem CID 62566199) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine
PubChem CID62566199
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine
SMILESCC(CNC1CCCC1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3/c1-9(8-16-10-4-2-3-5-10)18-7-6-11(17-18)12(13,14)15/h6-7,9-10,16H,2-5,8H2,1H3
InChIKeyBWVZUHXOWXDFGM-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine?
The IUPAC name of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine (CID 62566199) is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine?
The canonical SMILES for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine is CC(CNC1CCCC1)n1ccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine?
The InChIKey is BWVZUHXOWXDFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-9(8-16-10-4-2-3-5-10)18-7-6-11(17-18)12(13,14)15/h6-7,9-10,16H,2-5,8H2,1H3.
What are the key properties of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine?
N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine has a molecular weight of 261.29 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine is sourced from PubChem (CID 62566199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).