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

C11H16F3N3 — CID 55088612

IUPACN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentanamine
SMILESFC(F)(F)c1ccn(CCNC2CCCC2)n1
InChIInChI=1S/C11H16F3N3/c12-11(13,14)10-5-7-17(16-10)8-6-15-9-3-1-2-4-9/h5,7,9,15H,1-4,6,8H2
InChIKeyWKOJYQLYUJHLHA-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.43
Rot. Bonds4

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

N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentanamine (PubChem CID 55088612) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentanamine
PubChem CID55088612
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentanamine
SMILESFC(F)(F)c1ccn(CCNC2CCCC2)n1
InChIInChI=1S/C11H16F3N3/c12-11(13,14)10-5-7-17(16-10)8-6-15-9-3-1-2-4-9/h5,7,9,15H,1-4,6,8H2
InChIKeyWKOJYQLYUJHLHA-UHFFFAOYSA-N
XLogP2.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.43
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]ethyl]cyclopentanamine?
The IUPAC name of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentanamine (CID 55088612) is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentanamine?
The canonical SMILES for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentanamine is FC(F)(F)c1ccn(CCNC2CCCC2)n1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentanamine?
The InChIKey is WKOJYQLYUJHLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c12-11(13,14)10-5-7-17(16-10)8-6-15-9-3-1-2-4-9/h5,7,9,15H,1-4,6,8H2.
What are the key properties of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentanamine?
N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentanamine has a molecular weight of 247.26 g/mol, XLogP of 2.43, 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]ethyl]cyclopentanamine is sourced from PubChem (CID 55088612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).