3-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyrazin-2-ylpiperazin-2-yl]phenyl]propan-1-ol

C23H30N6O — CID 68736731

IUPAC3-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyrazin-2-ylpiperazin-2-yl]phenyl]propan-1-ol
SMILESCc1c(CN2CCN(c3cnccn3)CC2c2ccc(CCCO)cc2)cnn1C
InChIInChI=1S/C23H30N6O/c1-18-21(14-26-27(18)2)16-28-11-12-29(23-15-24-9-10-25-23)17-22(28)20-7-5-19(6-8-20)4-3-13-30/h5-10,14-15,22,30H,3-4,11-13,16-17H2,1-2H3
InChIKeyXUDDVWGXUPHNAM-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.51
Rot. Bonds7

About 3-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyrazin-2-ylpiperazin-2-yl]phenyl]propan-1-ol

3-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyrazin-2-ylpiperazin-2-yl]phenyl]propan-1-ol (PubChem CID 68736731) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyrazin-2-ylpiperazin-2-yl]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyrazin-2-ylpiperazin-2-yl]phenyl]propan-1-ol
PubChem CID68736731
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name3-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyrazin-2-ylpiperazin-2-yl]phenyl]propan-1-ol
SMILESCc1c(CN2CCN(c3cnccn3)CC2c2ccc(CCCO)cc2)cnn1C
InChIInChI=1S/C23H30N6O/c1-18-21(14-26-27(18)2)16-28-11-12-29(23-15-24-9-10-25-23)17-22(28)20-7-5-19(6-8-20)4-3-13-30/h5-10,14-15,22,30H,3-4,11-13,16-17H2,1-2H3
InChIKeyXUDDVWGXUPHNAM-UHFFFAOYSA-N
XLogP2.51
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyrazin-2-ylpiperazin-2-yl]phenyl]propan-1-ol with MolForge

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Related Compounds

1-[4-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-pyrazin-2-ylpiperazin-2-yl]phenyl]ethanone
CID 68739277
1-[(3R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 124999677
1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 109387801
(3S,4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 134712569
3-methyl-7-pyrazin-2-yl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
CID 44599674
(1-pyrazin-2-ylpyrrolidin-3-yl)methanol
CID 62372065
(5S,6S)-1-(2-phenylethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decan-6-ol
CID 110155607
1-(3-phenylpropyl)-4-pyrazin-2-yl-1,4-diazepane
CID 70713672
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methylphenyl)pyrazine
CID 59322064
3-methyl-5-(1-methyl-4-pyrazin-2-ylpiperazin-2-yl)-1,2,4-oxadiazole
CID 136541538
2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(2-methylimidazol-1-yl)pyridine
CID 110253556
(6S)-1-(1,3-benzodioxol-5-ylmethyl)-4-pyrazin-2-yl-1,4-diazepan-6-ol
CID 99974790

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyrazin-2-ylpiperazin-2-yl]phenyl]propan-1-ol?
The IUPAC name of 3-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyrazin-2-ylpiperazin-2-yl]phenyl]propan-1-ol (CID 68736731) is 3-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyrazin-2-ylpiperazin-2-yl]phenyl]propan-1-ol.
What is the SMILES notation for 3-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyrazin-2-ylpiperazin-2-yl]phenyl]propan-1-ol?
The canonical SMILES for 3-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyrazin-2-ylpiperazin-2-yl]phenyl]propan-1-ol is Cc1c(CN2CCN(c3cnccn3)CC2c2ccc(CCCO)cc2)cnn1C.
What is the InChIKey of 3-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyrazin-2-ylpiperazin-2-yl]phenyl]propan-1-ol?
The InChIKey is XUDDVWGXUPHNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-18-21(14-26-27(18)2)16-28-11-12-29(23-15-24-9-10-25-23)17-22(28)20-7-5-19(6-8-20)4-3-13-30/h5-10,14-15,22,30H,3-4,11-13,16-17H2,1-2H3.
What are the key properties of 3-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyrazin-2-ylpiperazin-2-yl]phenyl]propan-1-ol?
3-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyrazin-2-ylpiperazin-2-yl]phenyl]propan-1-ol has a molecular weight of 406.53 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyrazin-2-ylpiperazin-2-yl]phenyl]propan-1-ol is sourced from PubChem (CID 68736731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).