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

C12H18F3N3 — CID 55088561

IUPACN-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine
SMILESFC(F)(F)c1ccn(CCCNC2CCCC2)n1
InChIInChI=1S/C12H18F3N3/c13-12(14,15)11-6-9-18(17-11)8-3-7-16-10-4-1-2-5-10/h6,9-10,16H,1-5,7-8H2
InChIKeyBQTUNGFYUSIJJD-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.82
Rot. Bonds5

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

N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine (PubChem CID 55088561) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine
PubChem CID55088561
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine
SMILESFC(F)(F)c1ccn(CCCNC2CCCC2)n1
InChIInChI=1S/C12H18F3N3/c13-12(14,15)11-6-9-18(17-11)8-3-7-16-10-4-1-2-5-10/h6,9-10,16H,1-5,7-8H2
InChIKeyBQTUNGFYUSIJJD-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine?
The IUPAC name of N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine (CID 55088561) is N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine.
What is the SMILES notation for N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine?
The canonical SMILES for N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine is FC(F)(F)c1ccn(CCCNC2CCCC2)n1.
What is the InChIKey of N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine?
The InChIKey is BQTUNGFYUSIJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c13-12(14,15)11-6-9-18(17-11)8-3-7-16-10-4-1-2-5-10/h6,9-10,16H,1-5,7-8H2.
What are the key properties of N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine?
N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine has a molecular weight of 261.29 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanamine is sourced from PubChem (CID 55088561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).