2-(4-fluorophenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine

C21H25FN6 — CID 59321824

IUPAC2-(4-fluorophenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
SMILESCc1nn(C)c(C)c1CN1CCN(c2nccnc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN6/c1-15-19(16(2)26(3)25-15)14-27-10-12-28(13-11-27)21-20(23-8-9-24-21)17-4-6-18(22)7-5-17/h4-9H,10-14H2,1-3H3
InChIKeyMZFWDNKXHQTZET-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.96
Rot. Bonds4

About 2-(4-fluorophenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine

2-(4-fluorophenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine (PubChem CID 59321824) has the molecular formula C21H25FN6 and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
PubChem CID59321824
Molecular FormulaC21H25FN6
Molecular Weight380.47 g/mol
Exact Mass380.21
IUPAC Name2-(4-fluorophenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
SMILESCc1nn(C)c(C)c1CN1CCN(c2nccnc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN6/c1-15-19(16(2)26(3)25-15)14-27-10-12-28(13-11-27)21-20(23-8-9-24-21)17-4-6-18(22)7-5-17/h4-9H,10-14H2,1-3H3
InChIKeyMZFWDNKXHQTZET-UHFFFAOYSA-N
XLogP2.96
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-(4-fluorophenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine (CID 59321824) is 2-(4-fluorophenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-(4-fluorophenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine is Cc1nn(C)c(C)c1CN1CCN(c2nccnc2-c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine?
The InChIKey is MZFWDNKXHQTZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6/c1-15-19(16(2)26(3)25-15)14-27-10-12-28(13-11-27)21-20(23-8-9-24-21)17-4-6-18(22)7-5-17/h4-9H,10-14H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine?
2-(4-fluorophenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine has a molecular weight of 380.47 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 59321824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).