2-methyl-4-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine

C18H24N8 — CID 163346366

IUPAC2-methyl-4-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
SMILESCc1cnn(CCN2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)c1
InChIInChI=1S/C18H24N8/c1-15-13-20-25(14-15)11-8-23-6-9-24(10-7-23)17-12-18(22-16(2)21-17)26-5-3-4-19-26/h3-5,12-14H,6-11H2,1-2H3
InChIKeyTZOMSTWWXQJVGF-UHFFFAOYSA-N
MW352.45 g/mol
LogP1.30
Rot. Bonds5

About 2-methyl-4-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine

2-methyl-4-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine (PubChem CID 163346366) has the molecular formula C18H24N8 and a molecular weight of 352.45 g/mol. Its IUPAC name is 2-methyl-4-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name2-methyl-4-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
PubChem CID163346366
Molecular FormulaC18H24N8
Molecular Weight352.45 g/mol
Exact Mass352.21
IUPAC Name2-methyl-4-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
SMILESCc1cnn(CCN2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)c1
InChIInChI=1S/C18H24N8/c1-15-13-20-25(14-15)11-8-23-6-9-24(10-7-23)17-12-18(22-16(2)21-17)26-5-3-4-19-26/h3-5,12-14H,6-11H2,1-2H3
InChIKeyTZOMSTWWXQJVGF-UHFFFAOYSA-N
XLogP1.30
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
The IUPAC name of 2-methyl-4-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine (CID 163346366) is 2-methyl-4-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 2-methyl-4-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
The canonical SMILES for 2-methyl-4-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine is Cc1cnn(CCN2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)c1.
What is the InChIKey of 2-methyl-4-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
The InChIKey is TZOMSTWWXQJVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8/c1-15-13-20-25(14-15)11-8-23-6-9-24(10-7-23)17-12-18(22-16(2)21-17)26-5-3-4-19-26/h3-5,12-14H,6-11H2,1-2H3.
What are the key properties of 2-methyl-4-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine?
2-methyl-4-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine has a molecular weight of 352.45 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 163346366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).