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

C12H20F3N3 — CID 55088370

IUPACN-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pentan-1-amine
SMILESCCCCCNCC(C)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H20F3N3/c1-3-4-5-7-16-9-10(2)18-8-6-11(17-18)12(13,14)15/h6,8,10,16H,3-5,7,9H2,1-2H3
InChIKeySGJTXRZQIJXZQK-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.24
Rot. Bonds7

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

N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pentan-1-amine (PubChem CID 55088370) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pentan-1-amine
PubChem CID55088370
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pentan-1-amine
SMILESCCCCCNCC(C)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H20F3N3/c1-3-4-5-7-16-9-10(2)18-8-6-11(17-18)12(13,14)15/h6,8,10,16H,3-5,7,9H2,1-2H3
InChIKeySGJTXRZQIJXZQK-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.24
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-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pentan-1-amine?
The IUPAC name of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pentan-1-amine (CID 55088370) is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pentan-1-amine.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pentan-1-amine?
The canonical SMILES for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pentan-1-amine is CCCCCNCC(C)n1ccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pentan-1-amine?
The InChIKey is SGJTXRZQIJXZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3/c1-3-4-5-7-16-9-10(2)18-8-6-11(17-18)12(13,14)15/h6,8,10,16H,3-5,7,9H2,1-2H3.
What are the key properties of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pentan-1-amine?
N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]pentan-1-amine has a molecular weight of 263.31 g/mol, XLogP of 3.24, 7 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]pentan-1-amine is sourced from PubChem (CID 55088370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).