N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,2-trifluoroethanamine

C11H16F3N3 — CID 64799289

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1ccn(C2CCCC2)n1
InChIInChI=1S/C11H16F3N3/c12-11(13,14)8-15-7-9-5-6-17(16-9)10-3-1-2-4-10/h5-6,10,15H,1-4,7-8H2
InChIKeyUOUGNGZLHSYENI-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.65
Rot. Bonds4

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,2-trifluoroethanamine

N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 64799289) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID64799289
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1ccn(C2CCCC2)n1
InChIInChI=1S/C11H16F3N3/c12-11(13,14)8-15-7-9-5-6-17(16-9)10-3-1-2-4-10/h5-6,10,15H,1-4,7-8H2
InChIKeyUOUGNGZLHSYENI-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,2-trifluoroethanamine (CID 64799289) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNCc1ccn(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is UOUGNGZLHSYENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c12-11(13,14)8-15-7-9-5-6-17(16-9)10-3-1-2-4-10/h5-6,10,15H,1-4,7-8H2.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 247.26 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 64799289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).