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

C13H20F3N3 — CID 55088517

IUPACN-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanamine
SMILESCC(CNC1CCCCC1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H20F3N3/c1-10(9-17-11-5-3-2-4-6-11)19-8-7-12(18-19)13(14,15)16/h7-8,10-11,17H,2-6,9H2,1H3
InChIKeyPJUNFSFYNKRFBW-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.39
Rot. Bonds4

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

N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanamine (PubChem CID 55088517) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanamine
PubChem CID55088517
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanamine
SMILESCC(CNC1CCCCC1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H20F3N3/c1-10(9-17-11-5-3-2-4-6-11)19-8-7-12(18-19)13(14,15)16/h7-8,10-11,17H,2-6,9H2,1H3
InChIKeyPJUNFSFYNKRFBW-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanamine?
The IUPAC name of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanamine (CID 55088517) is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanamine.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanamine?
The canonical SMILES for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanamine is CC(CNC1CCCCC1)n1ccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanamine?
The InChIKey is PJUNFSFYNKRFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-10(9-17-11-5-3-2-4-6-11)19-8-7-12(18-19)13(14,15)16/h7-8,10-11,17H,2-6,9H2,1H3.
What are the key properties of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanamine?
N-[2-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanamine has a molecular weight of 275.32 g/mol, XLogP of 3.39, 4 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]cyclohexanamine is sourced from PubChem (CID 55088517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).