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

C19H18N8O — CID 46995755

IUPAC2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(1-benzylpyrazol-3-yl)acetamide
SMILESNc1nccc(-c2cnn(CC(=O)Nc3ccn(Cc4ccccc4)n3)c2)n1
InChIInChI=1S/C19H18N8O/c20-19-21-8-6-16(23-19)15-10-22-27(12-15)13-18(28)24-17-7-9-26(25-17)11-14-4-2-1-3-5-14/h1-10,12H,11,13H2,(H2,20,21,23)(H,24,25,28)
InChIKeyJZPHYZQFOJMKBT-UHFFFAOYSA-N
MW374.41 g/mol
LogP1.81
Rot. Bonds6

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

2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(1-benzylpyrazol-3-yl)acetamide (PubChem CID 46995755) 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-(1-benzylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(1-benzylpyrazol-3-yl)acetamide
PubChem CID46995755
Molecular FormulaC19H18N8O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(1-benzylpyrazol-3-yl)acetamide
SMILESNc1nccc(-c2cnn(CC(=O)Nc3ccn(Cc4ccccc4)n3)c2)n1
InChIInChI=1S/C19H18N8O/c20-19-21-8-6-16(23-19)15-10-22-27(12-15)13-18(28)24-17-7-9-26(25-17)11-14-4-2-1-3-5-14/h1-10,12H,11,13H2,(H2,20,21,23)(H,24,25,28)
InChIKeyJZPHYZQFOJMKBT-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-(2-benzylpyrazol-3-yl)acetamide
CID 46982345
N-(1-benzylpyrazol-3-yl)-2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]acetamide
CID 46994094
N-(1-benzylpyrazol-3-yl)-2-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]acetamide
CID 46998758
N-(1-benzylpyrazol-3-yl)-2-[4-(6-methoxypyridazin-3-yl)pyrazol-1-yl]acetamide
CID 46995316
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524979
N-(1-benzylpyrazol-3-yl)-2-(4-chloro-3-methylpyrazol-1-yl)acetamide
CID 4773521
N-(1-benzylpyrazol-3-yl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 47048680
2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19285191
N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47066196
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518535
N-[5-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide
CID 155597466
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide
CID 19394819

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(1-benzylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(1-benzylpyrazol-3-yl)acetamide (CID 46995755) is 2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(1-benzylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(1-benzylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(1-benzylpyrazol-3-yl)acetamide is Nc1nccc(-c2cnn(CC(=O)Nc3ccn(Cc4ccccc4)n3)c2)n1.
What is the InChIKey of 2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(1-benzylpyrazol-3-yl)acetamide?
The InChIKey is JZPHYZQFOJMKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O/c20-19-21-8-6-16(23-19)15-10-22-27(12-15)13-18(28)24-17-7-9-26(25-17)11-14-4-2-1-3-5-14/h1-10,12H,11,13H2,(H2,20,21,23)(H,24,25,28).
What are the key properties of 2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(1-benzylpyrazol-3-yl)acetamide?
2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(1-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-(1-benzylpyrazol-3-yl)acetamide is sourced from PubChem (CID 46995755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).