N-(2-chloro-6-pyrazol-1-ylpyrimidin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide

C14H18ClN7O — CID 59840922

IUPACN-(2-chloro-6-pyrazol-1-ylpyrimidin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(Cl)n2)CC1
InChIInChI=1S/C14H18ClN7O/c1-20-5-7-21(8-6-20)10-13(23)17-11-9-12(19-14(15)18-11)22-4-2-3-16-22/h2-4,9H,5-8,10H2,1H3,(H,17,18,19,23)
InChIKeyVIZBGDGXZZYYBA-UHFFFAOYSA-N
MW335.80 g/mol
LogP0.50
Rot. Bonds4

About N-(2-chloro-6-pyrazol-1-ylpyrimidin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide

N-(2-chloro-6-pyrazol-1-ylpyrimidin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 59840922) has the molecular formula C14H18ClN7O and a molecular weight of 335.80 g/mol. Its IUPAC name is N-(2-chloro-6-pyrazol-1-ylpyrimidin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-6-pyrazol-1-ylpyrimidin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID59840922
Molecular FormulaC14H18ClN7O
Molecular Weight335.80 g/mol
Exact Mass335.13
IUPAC NameN-(2-chloro-6-pyrazol-1-ylpyrimidin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(Cl)n2)CC1
InChIInChI=1S/C14H18ClN7O/c1-20-5-7-21(8-6-20)10-13(23)17-11-9-12(19-14(15)18-11)22-4-2-3-16-22/h2-4,9H,5-8,10H2,1H3,(H,17,18,19,23)
InChIKeyVIZBGDGXZZYYBA-UHFFFAOYSA-N
XLogP0.50
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-pyrazol-1-ylpyrimidin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-chloro-6-pyrazol-1-ylpyrimidin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide (CID 59840922) is N-(2-chloro-6-pyrazol-1-ylpyrimidin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-6-pyrazol-1-ylpyrimidin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-6-pyrazol-1-ylpyrimidin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(Cl)n2)CC1.
What is the InChIKey of N-(2-chloro-6-pyrazol-1-ylpyrimidin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is VIZBGDGXZZYYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN7O/c1-20-5-7-21(8-6-20)10-13(23)17-11-9-12(19-14(15)18-11)22-4-2-3-16-22/h2-4,9H,5-8,10H2,1H3,(H,17,18,19,23).
What are the key properties of N-(2-chloro-6-pyrazol-1-ylpyrimidin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide?
N-(2-chloro-6-pyrazol-1-ylpyrimidin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 335.80 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-pyrazol-1-ylpyrimidin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 59840922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).