3-[[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]phenol

C18H20N6O — CID 84584722

IUPAC3-[[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]phenol
SMILESOc1cccc(CN2CCN(c3cncc(-n4cccn4)n3)CC2)c1
InChIInChI=1S/C18H20N6O/c25-16-4-1-3-15(11-16)14-22-7-9-23(10-8-22)17-12-19-13-18(21-17)24-6-2-5-20-24/h1-6,11-13,25H,7-10,14H2
InChIKeySPXFNUPQVNYOAG-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.69
Rot. Bonds4

About 3-[[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]phenol

3-[[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]phenol (PubChem CID 84584722) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-[[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]phenol
PubChem CID84584722
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name3-[[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]phenol
SMILESOc1cccc(CN2CCN(c3cncc(-n4cccn4)n3)CC2)c1
InChIInChI=1S/C18H20N6O/c25-16-4-1-3-15(11-16)14-22-7-9-23(10-8-22)17-12-19-13-18(21-17)24-6-2-5-20-24/h1-6,11-13,25H,7-10,14H2
InChIKeySPXFNUPQVNYOAG-UHFFFAOYSA-N
XLogP1.69
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(pyrazol-1-ylmethyl)phenol
CID 24745197
4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 10805650
2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 154830051
3-[[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]methyl]phenol
CID 86795904
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 154581224
2-amino-6-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 166241593
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol
CID 2838458
1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid
CID 146134490
6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 133358244
4-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 154581240
6-(4-benzylpiperazin-1-yl)pyrazin-2-amine
CID 78988890
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 82187897

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 3-[[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]phenol (CID 84584722) is 3-[[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 3-[[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]phenol is Oc1cccc(CN2CCN(c3cncc(-n4cccn4)n3)CC2)c1.
What is the InChIKey of 3-[[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]phenol?
The InChIKey is SPXFNUPQVNYOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c25-16-4-1-3-15(11-16)14-22-7-9-23(10-8-22)17-12-19-13-18(21-17)24-6-2-5-20-24/h1-6,11-13,25H,7-10,14H2.
What are the key properties of 3-[[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]phenol?
3-[[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]phenol has a molecular weight of 336.40 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 84584722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).