2-[4-[(5-ethyl-1H-pyrazol-4-yl)-phenylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine

C26H27FN6 — CID 68594254

IUPAC2-[4-[(5-ethyl-1H-pyrazol-4-yl)-phenylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine
SMILESCCc1[nH]ncc1C(c1ccccc1)N1CCN(c2nccnc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C26H27FN6/c1-2-23-22(18-30-31-23)25(20-6-4-3-5-7-20)32-14-16-33(17-15-32)26-24(28-12-13-29-26)19-8-10-21(27)11-9-19/h3-13,18,25H,2,14-17H2,1H3,(H,30,31)
InChIKeyGNAFUHJKCSOIIJ-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.48
Rot. Bonds6

About 2-[4-[(5-ethyl-1H-pyrazol-4-yl)-phenylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine

2-[4-[(5-ethyl-1H-pyrazol-4-yl)-phenylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine (PubChem CID 68594254) has the molecular formula C26H27FN6 and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-[4-[(5-ethyl-1H-pyrazol-4-yl)-phenylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine.

Molecular Properties

Compound Name2-[4-[(5-ethyl-1H-pyrazol-4-yl)-phenylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine
PubChem CID68594254
Molecular FormulaC26H27FN6
Molecular Weight442.54 g/mol
Exact Mass442.23
IUPAC Name2-[4-[(5-ethyl-1H-pyrazol-4-yl)-phenylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine
SMILESCCc1[nH]ncc1C(c1ccccc1)N1CCN(c2nccnc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C26H27FN6/c1-2-23-22(18-30-31-23)25(20-6-4-3-5-7-20)32-14-16-33(17-15-32)26-24(28-12-13-29-26)19-8-10-21(27)11-9-19/h3-13,18,25H,2,14-17H2,1H3,(H,30,31)
InChIKeyGNAFUHJKCSOIIJ-UHFFFAOYSA-N
XLogP4.48
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-fluoro-4-[3-[4-[(5-methyl-1H-pyrazol-4-yl)-phenylmethyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methanol;hydrochloride
CID 68594481
1-[(4-fluorophenyl)-(5-methyl-1H-pyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride
CID 68596141
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-4-ylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine;dihydrochloride
CID 68597596
2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]pyrazine;hydrochloride
CID 68597368
2-[4-[(5-chloro-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine
CID 59321838
2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine;hydrochloride
CID 68596950
2-(4-chlorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine
CID 68595531
2-(4-fluorophenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
CID 59321824
2-chloro-3-[4-[(2,5-difluorophenyl)-(1H-pyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
CID 87069280
4-(4-benzhydrylpiperazin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidine
CID 23491654
1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine
CID 67474730
(4-benzhydrylpiperazin-1-yl)-[5-(4-fluorophenyl)-2H-triazol-4-yl]methanone
CID 131701861

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-ethyl-1H-pyrazol-4-yl)-phenylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine?
The IUPAC name of 2-[4-[(5-ethyl-1H-pyrazol-4-yl)-phenylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine (CID 68594254) is 2-[4-[(5-ethyl-1H-pyrazol-4-yl)-phenylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine.
What is the SMILES notation for 2-[4-[(5-ethyl-1H-pyrazol-4-yl)-phenylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine?
The canonical SMILES for 2-[4-[(5-ethyl-1H-pyrazol-4-yl)-phenylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine is CCc1[nH]ncc1C(c1ccccc1)N1CCN(c2nccnc2-c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[(5-ethyl-1H-pyrazol-4-yl)-phenylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine?
The InChIKey is GNAFUHJKCSOIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6/c1-2-23-22(18-30-31-23)25(20-6-4-3-5-7-20)32-14-16-33(17-15-32)26-24(28-12-13-29-26)19-8-10-21(27)11-9-19/h3-13,18,25H,2,14-17H2,1H3,(H,30,31).
What are the key properties of 2-[4-[(5-ethyl-1H-pyrazol-4-yl)-phenylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine?
2-[4-[(5-ethyl-1H-pyrazol-4-yl)-phenylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine has a molecular weight of 442.54 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-ethyl-1H-pyrazol-4-yl)-phenylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine is sourced from PubChem (CID 68594254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).