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

C22H26ClF3N6O — CID 68593597

IUPAC2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]pyrazine;hydrochloride
SMILESCc1n[nH]c(C)c1C(C)N1CCN(c2nccnc2-c2ccc(OC(F)(F)F)cc2)CC1.Cl
InChIInChI=1S/C22H25F3N6O.ClH/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);1H
InChIKeyARGOMTVKRVNXEE-UHFFFAOYSA-N
MW482.94 g/mol
LogP4.69
Rot. Bonds5

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

2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]pyrazine;hydrochloride (PubChem CID 68593597) has the molecular formula C22H26ClF3N6O and a molecular weight of 482.94 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;hydrochloride.

Molecular Properties

Compound Name2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]pyrazine;hydrochloride
PubChem CID68593597
Molecular FormulaC22H26ClF3N6O
Molecular Weight482.94 g/mol
Exact Mass482.18
IUPAC Name2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]pyrazine;hydrochloride
SMILESCc1n[nH]c(C)c1C(C)N1CCN(c2nccnc2-c2ccc(OC(F)(F)F)cc2)CC1.Cl
InChIInChI=1S/C22H25F3N6O.ClH/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);1H
InChIKeyARGOMTVKRVNXEE-UHFFFAOYSA-N
XLogP4.69
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.94
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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;hydrochloride?
The IUPAC name of 2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]pyrazine;hydrochloride (CID 68593597) is 2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]pyrazine;hydrochloride.
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;hydrochloride?
The canonical SMILES for 2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]pyrazine;hydrochloride is Cc1n[nH]c(C)c1C(C)N1CCN(c2nccnc2-c2ccc(OC(F)(F)F)cc2)CC1.Cl.
What is the InChIKey of 2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]pyrazine;hydrochloride?
The InChIKey is ARGOMTVKRVNXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O.ClH/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);1H.
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;hydrochloride?
2-[4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]pyrazine;hydrochloride has a molecular weight of 482.94 g/mol, XLogP of 4.69, 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;hydrochloride is sourced from PubChem (CID 68593597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).