5-[3-(trifluoromethyl)piperazin-2-yl]-1H-pyrazol-3-amine

C8H12F3N5 — CID 153475230

IUPAC5-[3-(trifluoromethyl)piperazin-2-yl]-1H-pyrazol-3-amine
SMILESNc1cc(C2NCCNC2C(F)(F)F)[nH]n1
InChIInChI=1S/C8H12F3N5/c9-8(10,11)7-6(13-1-2-14-7)4-3-5(12)16-15-4/h3,6-7,13-14H,1-2H2,(H3,12,15,16)
InChIKeyQZDKZCAESQTUEC-UHFFFAOYSA-N
MW235.21 g/mol
LogP0.16
Rot. Bonds1

About 5-[3-(trifluoromethyl)piperazin-2-yl]-1H-pyrazol-3-amine

5-[3-(trifluoromethyl)piperazin-2-yl]-1H-pyrazol-3-amine (PubChem CID 153475230) has the molecular formula C8H12F3N5 and a molecular weight of 235.21 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)piperazin-2-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)piperazin-2-yl]-1H-pyrazol-3-amine
PubChem CID153475230
Molecular FormulaC8H12F3N5
Molecular Weight235.21 g/mol
Exact Mass235.10
IUPAC Name5-[3-(trifluoromethyl)piperazin-2-yl]-1H-pyrazol-3-amine
SMILESNc1cc(C2NCCNC2C(F)(F)F)[nH]n1
InChIInChI=1S/C8H12F3N5/c9-8(10,11)7-6(13-1-2-14-7)4-3-5(12)16-15-4/h3,6-7,13-14H,1-2H2,(H3,12,15,16)
InChIKeyQZDKZCAESQTUEC-UHFFFAOYSA-N
XLogP0.16
TPSA78.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)piperazin-2-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[3-(trifluoromethyl)piperazin-2-yl]-1H-pyrazol-3-amine (CID 153475230) is 5-[3-(trifluoromethyl)piperazin-2-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3-(trifluoromethyl)piperazin-2-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3-(trifluoromethyl)piperazin-2-yl]-1H-pyrazol-3-amine is Nc1cc(C2NCCNC2C(F)(F)F)[nH]n1.
What is the InChIKey of 5-[3-(trifluoromethyl)piperazin-2-yl]-1H-pyrazol-3-amine?
The InChIKey is QZDKZCAESQTUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5/c9-8(10,11)7-6(13-1-2-14-7)4-3-5(12)16-15-4/h3,6-7,13-14H,1-2H2,(H3,12,15,16).
What are the key properties of 5-[3-(trifluoromethyl)piperazin-2-yl]-1H-pyrazol-3-amine?
5-[3-(trifluoromethyl)piperazin-2-yl]-1H-pyrazol-3-amine has a molecular weight of 235.21 g/mol, XLogP of 0.16, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)piperazin-2-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 153475230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).