1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine

C10H15F3N4 — CID 84706520

IUPAC1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine
SMILESCn1nc(C(F)(F)F)cc1CN1CCNCC1
InChIInChI=1S/C10H15F3N4/c1-16-8(6-9(15-16)10(11,12)13)7-17-4-2-14-3-5-17/h6,14H,2-5,7H2,1H3
InChIKeyJKYSSBQNJWEUMY-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.84
Rot. Bonds2

About 1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine

1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine (PubChem CID 84706520) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine
PubChem CID84706520
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine
SMILESCn1nc(C(F)(F)F)cc1CN1CCNCC1
InChIInChI=1S/C10H15F3N4/c1-16-8(6-9(15-16)10(11,12)13)7-17-4-2-14-3-5-17/h6,14H,2-5,7H2,1H3
InChIKeyJKYSSBQNJWEUMY-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

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine (CID 84706520) is 1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine is Cn1nc(C(F)(F)F)cc1CN1CCNCC1.
What is the InChIKey of 1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine?
The InChIKey is JKYSSBQNJWEUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-16-8(6-9(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-5-yl]methyl]piperazine?
1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-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-5-yl]methyl]piperazine is sourced from PubChem (CID 84706520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).