2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]pyrazine

C22H25F3N6O — CID 68593598

IUPAC2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]pyrazine
SMILESCc1n[nH]c(C)c1C(C)N1CCN(c2nccnc2-c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C22H25F3N6O/c1-14-19(15(2)29-28-14)16(3)30-10-12-31(13-11-30)21-20(26-8-9-27-21)17-4-6-18(7-5-17)32-22(23,24)25/h4-9,16H,10-13H2,1-3H3,(H,28,29)
InChIKeyHTDFYMOVTUBRON-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.27
Rot. Bonds5

About 2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]pyrazine

2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]pyrazine (PubChem CID 68593598) has the molecular formula C22H25F3N6O and a molecular weight of 446.48 g/mol. Its IUPAC name is 2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]pyrazine.

Molecular Properties

Compound Name2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]pyrazine
PubChem CID68593598
Molecular FormulaC22H25F3N6O
Molecular Weight446.48 g/mol
Exact Mass446.20
IUPAC Name2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]pyrazine
SMILESCc1n[nH]c(C)c1C(C)N1CCN(c2nccnc2-c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C22H25F3N6O/c1-14-19(15(2)29-28-14)16(3)30-10-12-31(13-11-30)21-20(26-8-9-27-21)17-4-6-18(7-5-17)32-22(23,24)25/h4-9,16H,10-13H2,1-3H3,(H,28,29)
InChIKeyHTDFYMOVTUBRON-UHFFFAOYSA-N
XLogP4.27
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]pyrazine 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 2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]pyrazine?
The IUPAC name of 2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]pyrazine (CID 68593598) is 2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]pyrazine.
What is the SMILES notation for 2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]pyrazine?
The canonical SMILES for 2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]pyrazine is Cc1n[nH]c(C)c1C(C)N1CCN(c2nccnc2-c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]pyrazine?
The InChIKey is HTDFYMOVTUBRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O/c1-14-19(15(2)29-28-14)16(3)30-10-12-31(13-11-30)21-20(26-8-9-27-21)17-4-6-18(7-5-17)32-22(23,24)25/h4-9,16H,10-13H2,1-3H3,(H,28,29).
What are the key properties of 2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]pyrazine?
2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]pyrazine has a molecular weight of 446.48 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]pyrazine is sourced from PubChem (CID 68593598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).