1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine

C9H14F3N5 — CID 86680081

IUPAC1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine
SMILESCn1ncc(N)c1N1CCNC(C(F)(F)F)C1
InChIInChI=1S/C9H14F3N5/c1-16-8(6(13)4-15-16)17-3-2-14-7(5-17)9(10,11)12/h4,7,14H,2-3,5,13H2,1H3
InChIKeyIVLQIHATJPCIGZ-UHFFFAOYSA-N
MW249.24 g/mol
LogP0.34
Rot. Bonds1

About 1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine

1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine (PubChem CID 86680081) has the molecular formula C9H14F3N5 and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine
PubChem CID86680081
Molecular FormulaC9H14F3N5
Molecular Weight249.24 g/mol
Exact Mass249.12
IUPAC Name1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine
SMILESCn1ncc(N)c1N1CCNC(C(F)(F)F)C1
InChIInChI=1S/C9H14F3N5/c1-16-8(6(13)4-15-16)17-3-2-14-7(5-17)9(10,11)12/h4,7,14H,2-3,5,13H2,1H3
InChIKeyIVLQIHATJPCIGZ-UHFFFAOYSA-N
XLogP0.34
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine?
The IUPAC name of 1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine (CID 86680081) is 1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine.
What is the SMILES notation for 1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine?
The canonical SMILES for 1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine is Cn1ncc(N)c1N1CCNC(C(F)(F)F)C1.
What is the InChIKey of 1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine?
The InChIKey is IVLQIHATJPCIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5/c1-16-8(6(13)4-15-16)17-3-2-14-7(5-17)9(10,11)12/h4,7,14H,2-3,5,13H2,1H3.
What are the key properties of 1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine?
1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine has a molecular weight of 249.24 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[3-(trifluoromethyl)piperazin-1-yl]pyrazol-4-amine is sourced from PubChem (CID 86680081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).