4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine

C18H20N6O — CID 154853650

IUPAC4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
SMILESCOc1cccc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)c1
InChIInChI=1S/C18H20N6O/c1-25-16-5-2-4-15(12-16)22-8-10-23(11-9-22)17-13-18(20-14-19-17)24-7-3-6-21-24/h2-7,12-14H,8-11H2,1H3
InChIKeyDXBXEUPJOQIMMO-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.00
Rot. Bonds4

About 4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine

4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine (PubChem CID 154853650) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
PubChem CID154853650
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
SMILESCOc1cccc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)c1
InChIInChI=1S/C18H20N6O/c1-25-16-5-2-4-15(12-16)22-8-10-23(11-9-22)17-13-18(20-14-19-17)24-7-3-6-21-24/h2-7,12-14H,8-11H2,1H3
InChIKeyDXBXEUPJOQIMMO-UHFFFAOYSA-N
XLogP2.00
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 154581224
4-cyclopropyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 155980412
4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 155823188
4-cyclobutyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 155941962
4-(3-fluorophenoxy)-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 83284609
(3-pyrazol-1-ylphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337319
4,5-dimethyl-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074558
4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 165433573
(2-methoxyphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700331
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine
CID 112863144
4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 10805650
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
The IUPAC name of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine (CID 154853650) is 4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
The canonical SMILES for 4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine is COc1cccc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)c1.
What is the InChIKey of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
The InChIKey is DXBXEUPJOQIMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-25-16-5-2-4-15(12-16)22-8-10-23(11-9-22)17-13-18(20-14-19-17)24-7-3-6-21-24/h2-7,12-14H,8-11H2,1H3.
What are the key properties of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine has a molecular weight of 336.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 154853650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).