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

C11H17F3N4 — CID 25248516

IUPAC1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine
SMILESCCn1nc(C(F)(F)F)cc1CN1CCNCC1
InChIInChI=1S/C11H17F3N4/c1-2-18-9(7-10(16-18)11(12,13)14)8-17-5-3-15-4-6-17/h7,15H,2-6,8H2,1H3
InChIKeyOPADPZADQPEOIV-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.33
Rot. Bonds3

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

1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine (PubChem CID 25248516) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine
PubChem CID25248516
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine
SMILESCCn1nc(C(F)(F)F)cc1CN1CCNCC1
InChIInChI=1S/C11H17F3N4/c1-2-18-9(7-10(16-18)11(12,13)14)8-17-5-3-15-4-6-17/h7,15H,2-6,8H2,1H3
InChIKeyOPADPZADQPEOIV-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine (CID 25248516) is 1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine is CCn1nc(C(F)(F)F)cc1CN1CCNCC1.
What is the InChIKey of 1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine?
The InChIKey is OPADPZADQPEOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-2-18-9(7-10(16-18)11(12,13)14)8-17-5-3-15-4-6-17/h7,15H,2-6,8H2,1H3.
What are the key properties of 1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine?
1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine has a molecular weight of 262.28 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 25248516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).