[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]-1,5-dimethylpyrazol-3-yl]methanol

C21H25FN6O — CID 59321835

IUPAC[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]-1,5-dimethylpyrazol-3-yl]methanol
SMILESCc1c(CN2CCN(c3nccnc3-c3ccc(F)cc3)CC2)c(CO)nn1C
InChIInChI=1S/C21H25FN6O/c1-15-18(19(14-29)25-26(15)2)13-27-9-11-28(12-10-27)21-20(23-7-8-24-21)16-3-5-17(22)6-4-16/h3-8,29H,9-14H2,1-2H3
InChIKeyVSOHGSPYJGHGGT-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.14
Rot. Bonds5

About [4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]-1,5-dimethylpyrazol-3-yl]methanol

[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]-1,5-dimethylpyrazol-3-yl]methanol (PubChem CID 59321835) has the molecular formula C21H25FN6O and a molecular weight of 396.47 g/mol. Its IUPAC name is [4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]-1,5-dimethylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]-1,5-dimethylpyrazol-3-yl]methanol
PubChem CID59321835
Molecular FormulaC21H25FN6O
Molecular Weight396.47 g/mol
Exact Mass396.21
IUPAC Name[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]-1,5-dimethylpyrazol-3-yl]methanol
SMILESCc1c(CN2CCN(c3nccnc3-c3ccc(F)cc3)CC2)c(CO)nn1C
InChIInChI=1S/C21H25FN6O/c1-15-18(19(14-29)25-26(15)2)13-27-9-11-28(12-10-27)21-20(23-7-8-24-21)16-3-5-17(22)6-4-16/h3-8,29H,9-14H2,1-2H3
InChIKeyVSOHGSPYJGHGGT-UHFFFAOYSA-N
XLogP2.14
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]-1,5-dimethylpyrazol-3-yl]methanol?
The IUPAC name of [4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]-1,5-dimethylpyrazol-3-yl]methanol (CID 59321835) is [4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]-1,5-dimethylpyrazol-3-yl]methanol.
What is the SMILES notation for [4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]-1,5-dimethylpyrazol-3-yl]methanol?
The canonical SMILES for [4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]-1,5-dimethylpyrazol-3-yl]methanol is Cc1c(CN2CCN(c3nccnc3-c3ccc(F)cc3)CC2)c(CO)nn1C.
What is the InChIKey of [4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]-1,5-dimethylpyrazol-3-yl]methanol?
The InChIKey is VSOHGSPYJGHGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O/c1-15-18(19(14-29)25-26(15)2)13-27-9-11-28(12-10-27)21-20(23-7-8-24-21)16-3-5-17(22)6-4-16/h3-8,29H,9-14H2,1-2H3.
What are the key properties of [4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]-1,5-dimethylpyrazol-3-yl]methanol?
[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]-1,5-dimethylpyrazol-3-yl]methanol has a molecular weight of 396.47 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]-1,5-dimethylpyrazol-3-yl]methanol is sourced from PubChem (CID 59321835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).