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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Related Compounds

N-[2,6-bis(1H-pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768406
Pyrimidine, 4,6-bis(1H-pyrazol-1-yl)-
CID 3087487
5,8-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-2H-[1,2,4]triazol-3-yl)-vinyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 90018218
2,6-Bis(1-pyrazolyl)pyrazine
CID 1487780
1-Methyl-4-(4-methylpiperazinyl)pyrazolo[5,4-d]pyrimidine
CID 2808976
5,8-dimethyl-2-[(E)-2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 165415044
1-methyl-6-(4-methylpiperazin-1-yl)-4-(pyrrolidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
CID 29136870
4-amino-2,6-di-(1H-pyrazol-1-yl)pyrimidine-5-carbonitrile
CID 53467828
2-[(E)-2-(5-azetidin-1-yl-2-methyl-2H-[1,2,4]triazol-3-yl)-vinyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine
CID 72702891
5,8-dimethyl-2-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 165415450
2-chloro-4-(4-methyl-1H-pyrazol-1-yl)pyrimidine
CID 62343477
1-[(1-Methylimidazol-2-yl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 53553093

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).