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

C11H18F3N3 — CID 62044517

IUPACN-ethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine
SMILESCCCC(Cn1ccc(C(F)(F)F)n1)NCC
InChIInChI=1S/C11H18F3N3/c1-3-5-9(15-4-2)8-17-7-6-10(16-17)11(12,13)14/h6-7,9,15H,3-5,8H2,1-2H3
InChIKeyOYQSRHBNGWTLIG-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.68
Rot. Bonds6

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

N-ethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine (PubChem CID 62044517) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is N-ethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine
PubChem CID62044517
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC NameN-ethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine
SMILESCCCC(Cn1ccc(C(F)(F)F)n1)NCC
InChIInChI=1S/C11H18F3N3/c1-3-5-9(15-4-2)8-17-7-6-10(16-17)11(12,13)14/h6-7,9,15H,3-5,8H2,1-2H3
InChIKeyOYQSRHBNGWTLIG-UHFFFAOYSA-N
XLogP2.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine?
The IUPAC name of N-ethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine (CID 62044517) is N-ethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine.
What is the SMILES notation for N-ethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine?
The canonical SMILES for N-ethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine is CCCC(Cn1ccc(C(F)(F)F)n1)NCC.
What is the InChIKey of N-ethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine?
The InChIKey is OYQSRHBNGWTLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3/c1-3-5-9(15-4-2)8-17-7-6-10(16-17)11(12,13)14/h6-7,9,15H,3-5,8H2,1-2H3.
What are the key properties of N-ethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine?
N-ethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine has a molecular weight of 249.28 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine is sourced from PubChem (CID 62044517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).