N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpyrazol-1-yl)acetamide

C18H16N8O — CID 46995367

IUPACN-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpyrazol-1-yl)acetamide
SMILESCn1nc(-c2ccccn2)cc1NC(=O)Cn1cc(-c2ncccn2)cn1
InChIInChI=1S/C18H16N8O/c1-25-16(9-15(24-25)14-5-2-3-6-19-14)23-17(27)12-26-11-13(10-22-26)18-20-7-4-8-21-18/h2-11H,12H2,1H3,(H,23,27)
InChIKeyWZLCKYCEYILHCT-UHFFFAOYSA-N
MW360.38 g/mol
LogP1.77
Rot. Bonds5

About N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpyrazol-1-yl)acetamide

N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpyrazol-1-yl)acetamide (PubChem CID 46995367) has the molecular formula C18H16N8O and a molecular weight of 360.38 g/mol. Its IUPAC name is N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpyrazol-1-yl)acetamide
PubChem CID46995367
Molecular FormulaC18H16N8O
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC NameN-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpyrazol-1-yl)acetamide
SMILESCn1nc(-c2ccccn2)cc1NC(=O)Cn1cc(-c2ncccn2)cn1
InChIInChI=1S/C18H16N8O/c1-25-16(9-15(24-25)14-5-2-3-6-19-14)23-17(27)12-26-11-13(10-22-26)18-20-7-4-8-21-18/h2-11H,12H2,1H3,(H,23,27)
InChIKeyWZLCKYCEYILHCT-UHFFFAOYSA-N
XLogP1.77
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpyrazol-1-yl)acetamide?
The IUPAC name of N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpyrazol-1-yl)acetamide (CID 46995367) is N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpyrazol-1-yl)acetamide is Cn1nc(-c2ccccn2)cc1NC(=O)Cn1cc(-c2ncccn2)cn1.
What is the InChIKey of N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpyrazol-1-yl)acetamide?
The InChIKey is WZLCKYCEYILHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O/c1-25-16(9-15(24-25)14-5-2-3-6-19-14)23-17(27)12-26-11-13(10-22-26)18-20-7-4-8-21-18/h2-11H,12H2,1H3,(H,23,27).
What are the key properties of N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpyrazol-1-yl)acetamide?
N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpyrazol-1-yl)acetamide has a molecular weight of 360.38 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpyrazol-1-yl)acetamide is sourced from PubChem (CID 46995367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).