2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-phenylpyrazol-3-yl)acetamide

C20H20N8O — CID 46986641

IUPAC2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-phenylpyrazol-3-yl)acetamide
SMILESCNc1nc(C)cc(-c2cnn(CC(=O)Nc3ccnn3-c3ccccc3)c2)n1
InChIInChI=1S/C20H20N8O/c1-14-10-17(25-20(21-2)24-14)15-11-23-27(12-15)13-19(29)26-18-8-9-22-28(18)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,26,29)(H,21,24,25)
InChIKeyNPUPMDNXCALKOM-UHFFFAOYSA-N
MW388.44 g/mol
LogP2.51
Rot. Bonds6

About 2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-phenylpyrazol-3-yl)acetamide

2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-phenylpyrazol-3-yl)acetamide (PubChem CID 46986641) has the molecular formula C20H20N8O and a molecular weight of 388.44 g/mol. Its IUPAC name is 2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-phenylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-phenylpyrazol-3-yl)acetamide
PubChem CID46986641
Molecular FormulaC20H20N8O
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC Name2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-phenylpyrazol-3-yl)acetamide
SMILESCNc1nc(C)cc(-c2cnn(CC(=O)Nc3ccnn3-c3ccccc3)c2)n1
InChIInChI=1S/C20H20N8O/c1-14-10-17(25-20(21-2)24-14)15-11-23-27(12-15)13-19(29)26-18-8-9-22-28(18)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,26,29)(H,21,24,25)
InChIKeyNPUPMDNXCALKOM-UHFFFAOYSA-N
XLogP2.51
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(2-amino-6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 46985324
N-(2-phenylpyrazol-3-yl)acetamide
CID 12678799
N-(5-methyl-2-phenylpyrazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide
CID 46988638
2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(2-benzylpyrazol-3-yl)acetamide
CID 46982345
2-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 46998277
1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-phenylpyrazol-3-yl)urea
CID 165368483
N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpyrazol-1-yl)acetamide
CID 46995367
2-[4-[4-(hydroxymethyl)phenyl]pyrazol-1-yl]-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)acetamide
CID 46986305
N-(2-methylpyrazol-3-yl)-2-[4-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]pyrazol-1-yl]acetamide
CID 30956688
N-methyl-2-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]acetamide
CID 121497314
2-amino-N-(2-phenylpyrazol-3-yl)benzamide
CID 14638390
2-[4-(6-methoxy-3-pyridinyl)pyrazol-1-yl]-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)acetamide
CID 46997186

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-phenylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-phenylpyrazol-3-yl)acetamide (CID 46986641) is 2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-phenylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-phenylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-phenylpyrazol-3-yl)acetamide is CNc1nc(C)cc(-c2cnn(CC(=O)Nc3ccnn3-c3ccccc3)c2)n1.
What is the InChIKey of 2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-phenylpyrazol-3-yl)acetamide?
The InChIKey is NPUPMDNXCALKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O/c1-14-10-17(25-20(21-2)24-14)15-11-23-27(12-15)13-19(29)26-18-8-9-22-28(18)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,26,29)(H,21,24,25).
What are the key properties of 2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-phenylpyrazol-3-yl)acetamide?
2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-phenylpyrazol-3-yl)acetamide has a molecular weight of 388.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-phenylpyrazol-3-yl)acetamide is sourced from PubChem (CID 46986641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).