2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(2-benzylpyrazol-3-yl)acetamide

C19H18N8O — CID 46982345

IUPAC2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(2-benzylpyrazol-3-yl)acetamide
SMILESNc1nccc(-c2cnn(CC(=O)Nc3ccnn3Cc3ccccc3)c2)n1
InChIInChI=1S/C19H18N8O/c20-19-21-8-6-16(24-19)15-10-23-26(12-15)13-18(28)25-17-7-9-22-27(17)11-14-4-2-1-3-5-14/h1-10,12H,11,13H2,(H,25,28)(H2,20,21,24)
InChIKeyMKPJCWLCTJIWPQ-UHFFFAOYSA-N
MW374.41 g/mol
LogP1.81
Rot. Bonds6

About 2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(2-benzylpyrazol-3-yl)acetamide

2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(2-benzylpyrazol-3-yl)acetamide (PubChem CID 46982345) has the molecular formula C19H18N8O and a molecular weight of 374.41 g/mol. Its IUPAC name is 2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(2-benzylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(2-benzylpyrazol-3-yl)acetamide
PubChem CID46982345
Molecular FormulaC19H18N8O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(2-benzylpyrazol-3-yl)acetamide
SMILESNc1nccc(-c2cnn(CC(=O)Nc3ccnn3Cc3ccccc3)c2)n1
InChIInChI=1S/C19H18N8O/c20-19-21-8-6-16(24-19)15-10-23-26(12-15)13-18(28)25-17-7-9-22-27(17)11-14-4-2-1-3-5-14/h1-10,12H,11,13H2,(H,25,28)(H2,20,21,24)
InChIKeyMKPJCWLCTJIWPQ-UHFFFAOYSA-N
XLogP1.81
TPSA116.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(1-benzylpyrazol-3-yl)acetamide
CID 46995755
2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(2-cyclohexyl-5-methylpyrazol-3-yl)acetamide
CID 46991623
N-(2-benzylpyrazol-3-yl)-2-(1-oxophthalazin-2-yl)acetamide
CID 55574993
N-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide
CID 2542749
N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide
CID 7492056
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide
CID 24525234
N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide
CID 7589903
N-(2-benzylpyrazol-3-yl)-2-(1H-indol-3-yl)acetamide
CID 17467956
N-(1-benzylpyrazol-3-yl)-2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]acetamide
CID 46994094
2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-phenylpyrazol-3-yl)acetamide
CID 46986641
N-[5-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide
CID 155597466
N-(2-benzylpyrazol-3-yl)-3-cyclopentylpropanamide
CID 47007012

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(2-benzylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(2-benzylpyrazol-3-yl)acetamide (CID 46982345) is 2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(2-benzylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(2-benzylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(2-benzylpyrazol-3-yl)acetamide is Nc1nccc(-c2cnn(CC(=O)Nc3ccnn3Cc3ccccc3)c2)n1.
What is the InChIKey of 2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(2-benzylpyrazol-3-yl)acetamide?
The InChIKey is MKPJCWLCTJIWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O/c20-19-21-8-6-16(24-19)15-10-23-26(12-15)13-18(28)25-17-7-9-22-27(17)11-14-4-2-1-3-5-14/h1-10,12H,11,13H2,(H,25,28)(H2,20,21,24).
What are the key properties of 2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(2-benzylpyrazol-3-yl)acetamide?
2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(2-benzylpyrazol-3-yl)acetamide has a molecular weight of 374.41 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(2-benzylpyrazol-3-yl)acetamide is sourced from PubChem (CID 46982345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).