1-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine

C11H17F3N4 — CID 174286282

IUPAC1-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine
SMILESCc1nn(CC(F)(F)F)cc1CN1CCNCC1
InChIInChI=1S/C11H17F3N4/c1-9-10(6-17-4-2-15-3-5-17)7-18(16-9)8-11(12,13)14/h7,15H,2-6,8H2,1H3
InChIKeyMESTXUBFEAIIBD-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.16
Rot. Bonds3

About 1-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine

1-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine (PubChem CID 174286282) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine
PubChem CID174286282
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name1-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine
SMILESCc1nn(CC(F)(F)F)cc1CN1CCNCC1
InChIInChI=1S/C11H17F3N4/c1-9-10(6-17-4-2-15-3-5-17)7-18(16-9)8-11(12,13)14/h7,15H,2-6,8H2,1H3
InChIKeyMESTXUBFEAIIBD-UHFFFAOYSA-N
XLogP1.16
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine
CID 117682896
(1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)methanamine
CID 59818031
(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylamine
CID 578961
(5-methyl-1-(2-methylpropyl)-1H-pyrazol-4-yl)methanamine
CID 60866655
((1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 7175814
2-(1-methyl-1H-pyrazol-4-yl)piperazine
CID 75480342
[1-methyl-4-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
CID 115015283
[4-(difluoromethyl)-1-methyl-1H-pyrazol-3-yl]methanamine
CID 121351490
(cyclopropylmethyl){[3-methyl-1-(2-thiomorpholin-4-ylethyl)-1H-pyrazol-4-yl]methyl}amine
CID 50963716
(1-Ethyl-3-methyl-1H-pyrazol-4-ylmethyl)-methyl-amine
CID 6487607
(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanamine
CID 53487050
N-((1,3-dimethyl-1H-pyrazol-4-yl)methyl)cyclopropanamine
CID 25220769

Frequently Asked Questions

What is the IUPAC name of 1-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 1-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine (CID 174286282) is 1-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine is Cc1nn(CC(F)(F)F)cc1CN1CCNCC1.
What is the InChIKey of 1-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine?
The InChIKey is MESTXUBFEAIIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-9-10(6-17-4-2-15-3-5-17)7-18(16-9)8-11(12,13)14/h7,15H,2-6,8H2,1H3.
What are the key properties of 1-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine?
1-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine has a molecular weight of 262.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 174286282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).