1-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]pyrazol-3-amine

C12H20F3N5 — CID 63310519

IUPAC1-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]pyrazol-3-amine
SMILESNc1ccn(CCCN2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C12H20F3N5/c13-12(14,15)10-19-8-6-18(7-9-19)3-1-4-20-5-2-11(16)17-20/h2,5H,1,3-4,6-10H2,(H2,16,17)
InChIKeyDKVRVLDRCNGXCZ-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.04
Rot. Bonds5

About 1-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]pyrazol-3-amine

1-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]pyrazol-3-amine (PubChem CID 63310519) has the molecular formula C12H20F3N5 and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]pyrazol-3-amine
PubChem CID63310519
Molecular FormulaC12H20F3N5
Molecular Weight291.32 g/mol
Exact Mass291.17
IUPAC Name1-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]pyrazol-3-amine
SMILESNc1ccn(CCCN2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C12H20F3N5/c13-12(14,15)10-19-8-6-18(7-9-19)3-1-4-20-5-2-11(16)17-20/h2,5H,1,3-4,6-10H2,(H2,16,17)
InChIKeyDKVRVLDRCNGXCZ-UHFFFAOYSA-N
XLogP1.04
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]pyrazol-3-amine?
The IUPAC name of 1-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]pyrazol-3-amine (CID 63310519) is 1-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]pyrazol-3-amine is Nc1ccn(CCCN2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of 1-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]pyrazol-3-amine?
The InChIKey is DKVRVLDRCNGXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N5/c13-12(14,15)10-19-8-6-18(7-9-19)3-1-4-20-5-2-11(16)17-20/h2,5H,1,3-4,6-10H2,(H2,16,17).
What are the key properties of 1-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]pyrazol-3-amine?
1-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]pyrazol-3-amine has a molecular weight of 291.32 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]pyrazol-3-amine is sourced from PubChem (CID 63310519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).