1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperazine

C10H15F3N4 — CID 82511703

IUPAC1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperazine
SMILESCn1cc(CN2CCNCC2)c(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N4/c1-16-6-8(9(15-16)10(11,12)13)7-17-4-2-14-3-5-17/h6,14H,2-5,7H2,1H3
InChIKeyGUCZCESJWBJJOV-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.84
Rot. Bonds2

About 1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperazine

1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperazine (PubChem CID 82511703) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperazine
PubChem CID82511703
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperazine
SMILESCn1cc(CN2CCNCC2)c(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N4/c1-16-6-8(9(15-16)10(11,12)13)7-17-4-2-14-3-5-17/h6,14H,2-5,7H2,1H3
InChIKeyGUCZCESJWBJJOV-UHFFFAOYSA-N
XLogP0.84
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperazine 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-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperazine (CID 82511703) is 1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperazine is Cn1cc(CN2CCNCC2)c(C(F)(F)F)n1.
What is the InChIKey of 1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperazine?
The InChIKey is GUCZCESJWBJJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-16-6-8(9(15-16)10(11,12)13)7-17-4-2-14-3-5-17/h6,14H,2-5,7H2,1H3.
What are the key properties of 1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperazine?
1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperazine has a molecular weight of 248.25 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 82511703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).