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

C9H14F3N3 — CID 19616726

IUPAC3-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine
SMILESCCC(CCN)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C9H14F3N3/c1-2-7(3-5-13)15-6-4-8(14-15)9(10,11)12/h4,6-7H,2-3,5,13H2,1H3
InChIKeyTZUIRHRAHGBQSK-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.20
Rot. Bonds4

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

3-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine (PubChem CID 19616726) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine
PubChem CID19616726
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name3-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine
SMILESCCC(CCN)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C9H14F3N3/c1-2-7(3-5-13)15-6-4-8(14-15)9(10,11)12/h4,6-7H,2-3,5,13H2,1H3
InChIKeyTZUIRHRAHGBQSK-UHFFFAOYSA-N
XLogP2.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine?
The IUPAC name of 3-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine (CID 19616726) is 3-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine.
What is the SMILES notation for 3-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine?
The canonical SMILES for 3-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine is CCC(CCN)n1ccc(C(F)(F)F)n1.
What is the InChIKey of 3-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine?
The InChIKey is TZUIRHRAHGBQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-2-7(3-5-13)15-6-4-8(14-15)9(10,11)12/h4,6-7H,2-3,5,13H2,1H3.
What are the key properties of 3-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine?
3-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine has a molecular weight of 221.23 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine is sourced from PubChem (CID 19616726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).