2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine

C21H26N6O — CID 59321903

IUPAC2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine
SMILESCCn1cc(CN2CCN(c3nccnc3-c3ccc(OC)cc3)CC2)cn1
InChIInChI=1S/C21H26N6O/c1-3-27-16-17(14-24-27)15-25-10-12-26(13-11-25)21-20(22-8-9-23-21)18-4-6-19(28-2)7-5-18/h4-9,14,16H,3,10-13,15H2,1-2H3
InChIKeyDFOMHLWMJLFKFU-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.69
Rot. Bonds6

About 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine

2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine (PubChem CID 59321903) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine.

Molecular Properties

Compound Name2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine
PubChem CID59321903
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine
SMILESCCn1cc(CN2CCN(c3nccnc3-c3ccc(OC)cc3)CC2)cn1
InChIInChI=1S/C21H26N6O/c1-3-27-16-17(14-24-27)15-25-10-12-26(13-11-25)21-20(22-8-9-23-21)18-4-6-19(28-2)7-5-18/h4-9,14,16H,3,10-13,15H2,1-2H3
InChIKeyDFOMHLWMJLFKFU-UHFFFAOYSA-N
XLogP2.69
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine
CID 59322079
2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine;hydrochloride
CID 162331647
(2R)-1-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]-3-methylbutan-2-ol;hydrochloride
CID 68594772
1,1,1-trifluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol
CID 59321888
N-[2-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]formamide
CID 87485853
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-ethoxyphenyl)pyrazine
CID 59321866
[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 19491634
(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine
CID 124977152
[1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-pyridinyl]piperidin-4-yl]methanol;hydrochloride
CID 67038358
N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine
CID 15953887
1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol
CID 81114923
2-[4-[[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol;hydrochloride
CID 68594249

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine?
The IUPAC name of 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine (CID 59321903) is 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine.
What is the SMILES notation for 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine?
The canonical SMILES for 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine is CCn1cc(CN2CCN(c3nccnc3-c3ccc(OC)cc3)CC2)cn1.
What is the InChIKey of 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine?
The InChIKey is DFOMHLWMJLFKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-3-27-16-17(14-24-27)15-25-10-12-26(13-11-25)21-20(22-8-9-23-21)18-4-6-19(28-2)7-5-18/h4-9,14,16H,3,10-13,15H2,1-2H3.
What are the key properties of 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine?
2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine has a molecular weight of 378.48 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine is sourced from PubChem (CID 59321903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).