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

C9H8ClN5O — CID 25210250

IUPACN-(6-chloro-2-pyrazol-1-ylpyrimidin-4-yl)acetamide
SMILESCC(=O)Nc1cc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C9H8ClN5O/c1-6(16)12-8-5-7(10)13-9(14-8)15-4-2-3-11-15/h2-5H,1H3,(H,12,13,14,16)
InChIKeyVKLYSDGNPOMOFF-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.27
Rot. Bonds2

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

N-(6-chloro-2-pyrazol-1-ylpyrimidin-4-yl)acetamide (PubChem CID 25210250) has the molecular formula C9H8ClN5O and a molecular weight of 237.65 g/mol. Its IUPAC name is N-(6-chloro-2-pyrazol-1-ylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyrazol-1-ylpyrimidin-4-yl)acetamide
PubChem CID25210250
Molecular FormulaC9H8ClN5O
Molecular Weight237.65 g/mol
Exact Mass237.04
IUPAC NameN-(6-chloro-2-pyrazol-1-ylpyrimidin-4-yl)acetamide
SMILESCC(=O)Nc1cc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C9H8ClN5O/c1-6(16)12-8-5-7(10)13-9(14-8)15-4-2-3-11-15/h2-5H,1H3,(H,12,13,14,16)
InChIKeyVKLYSDGNPOMOFF-UHFFFAOYSA-N
XLogP1.27
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyrazol-1-ylpyrimidin-4-yl)acetamide?
The IUPAC name of N-(6-chloro-2-pyrazol-1-ylpyrimidin-4-yl)acetamide (CID 25210250) is N-(6-chloro-2-pyrazol-1-ylpyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(6-chloro-2-pyrazol-1-ylpyrimidin-4-yl)acetamide?
The canonical SMILES for N-(6-chloro-2-pyrazol-1-ylpyrimidin-4-yl)acetamide is CC(=O)Nc1cc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of N-(6-chloro-2-pyrazol-1-ylpyrimidin-4-yl)acetamide?
The InChIKey is VKLYSDGNPOMOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O/c1-6(16)12-8-5-7(10)13-9(14-8)15-4-2-3-11-15/h2-5H,1H3,(H,12,13,14,16).
What are the key properties of N-(6-chloro-2-pyrazol-1-ylpyrimidin-4-yl)acetamide?
N-(6-chloro-2-pyrazol-1-ylpyrimidin-4-yl)acetamide has a molecular weight of 237.65 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyrazol-1-ylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 25210250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).