2-chloro-2-fluoro-N-(2-pyrimidin-2-ylpyrazol-3-yl)acetamide

C9H7ClFN5O — CID 166430988

IUPAC2-chloro-2-fluoro-N-(2-pyrimidin-2-ylpyrazol-3-yl)acetamide
SMILESO=C(Nc1ccnn1-c1ncccn1)C(F)Cl
InChIInChI=1S/C9H7ClFN5O/c10-7(11)8(17)15-6-2-5-14-16(6)9-12-3-1-4-13-9/h1-5,7H,(H,15,17)
InChIKeyDJPNCZQVTFEWCD-UHFFFAOYSA-N
MW255.64 g/mol
LogP1.14
Rot. Bonds3

About 2-chloro-2-fluoro-N-(2-pyrimidin-2-ylpyrazol-3-yl)acetamide

2-chloro-2-fluoro-N-(2-pyrimidin-2-ylpyrazol-3-yl)acetamide (PubChem CID 166430988) has the molecular formula C9H7ClFN5O and a molecular weight of 255.64 g/mol. Its IUPAC name is 2-chloro-2-fluoro-N-(2-pyrimidin-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-2-fluoro-N-(2-pyrimidin-2-ylpyrazol-3-yl)acetamide
PubChem CID166430988
Molecular FormulaC9H7ClFN5O
Molecular Weight255.64 g/mol
Exact Mass255.03
IUPAC Name2-chloro-2-fluoro-N-(2-pyrimidin-2-ylpyrazol-3-yl)acetamide
SMILESO=C(Nc1ccnn1-c1ncccn1)C(F)Cl
InChIInChI=1S/C9H7ClFN5O/c10-7(11)8(17)15-6-2-5-14-16(6)9-12-3-1-4-13-9/h1-5,7H,(H,15,17)
InChIKeyDJPNCZQVTFEWCD-UHFFFAOYSA-N
XLogP1.14
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.64
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-fluoro-N-(2-pyrimidin-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-chloro-2-fluoro-N-(2-pyrimidin-2-ylpyrazol-3-yl)acetamide (CID 166430988) is 2-chloro-2-fluoro-N-(2-pyrimidin-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-chloro-2-fluoro-N-(2-pyrimidin-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-chloro-2-fluoro-N-(2-pyrimidin-2-ylpyrazol-3-yl)acetamide is O=C(Nc1ccnn1-c1ncccn1)C(F)Cl.
What is the InChIKey of 2-chloro-2-fluoro-N-(2-pyrimidin-2-ylpyrazol-3-yl)acetamide?
The InChIKey is DJPNCZQVTFEWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN5O/c10-7(11)8(17)15-6-2-5-14-16(6)9-12-3-1-4-13-9/h1-5,7H,(H,15,17).
What are the key properties of 2-chloro-2-fluoro-N-(2-pyrimidin-2-ylpyrazol-3-yl)acetamide?
2-chloro-2-fluoro-N-(2-pyrimidin-2-ylpyrazol-3-yl)acetamide has a molecular weight of 255.64 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-N-(2-pyrimidin-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 166430988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).