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

C10H15F3N4 — CID 174287447

IUPAC1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine
SMILESCn1nc(CN2CCNCC2)cc1C(F)(F)F
InChIInChI=1S/C10H15F3N4/c1-16-9(10(11,12)13)6-8(15-16)7-17-4-2-14-3-5-17/h6,14H,2-5,7H2,1H3
InChIKeyYVDFESMEQRQXQQ-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.84
Rot. Bonds2

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

1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine (PubChem CID 174287447) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine
PubChem CID174287447
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine
SMILESCn1nc(CN2CCNCC2)cc1C(F)(F)F
InChIInChI=1S/C10H15F3N4/c1-16-9(10(11,12)13)6-8(15-16)7-17-4-2-14-3-5-17/h6,14H,2-5,7H2,1H3
InChIKeyYVDFESMEQRQXQQ-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-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine?
The IUPAC name of 1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine (CID 174287447) is 1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine.
What is the SMILES notation for 1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine?
The canonical SMILES for 1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine is Cn1nc(CN2CCNCC2)cc1C(F)(F)F.
What is the InChIKey of 1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine?
The InChIKey is YVDFESMEQRQXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-16-9(10(11,12)13)6-8(15-16)7-17-4-2-14-3-5-17/h6,14H,2-5,7H2,1H3.
What are the key properties of 1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine?
1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-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-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperazine is sourced from PubChem (CID 174287447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).