2-(4-fluoro-3-pyrimidin-2-ylpyrazol-1-yl)-2-methylpropanal

C11H11FN4O — CID 142565706

IUPAC2-(4-fluoro-3-pyrimidin-2-ylpyrazol-1-yl)-2-methylpropanal
SMILESCC(C)(C=O)n1cc(F)c(-c2ncccn2)n1
InChIInChI=1S/C11H11FN4O/c1-11(2,7-17)16-6-8(12)9(15-16)10-13-4-3-5-14-10/h3-7H,1-2H3
InChIKeySHBZTLWQJFGGDL-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.41
Rot. Bonds3

About 2-(4-fluoro-3-pyrimidin-2-ylpyrazol-1-yl)-2-methylpropanal

2-(4-fluoro-3-pyrimidin-2-ylpyrazol-1-yl)-2-methylpropanal (PubChem CID 142565706) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-(4-fluoro-3-pyrimidin-2-ylpyrazol-1-yl)-2-methylpropanal.

Molecular Properties

Compound Name2-(4-fluoro-3-pyrimidin-2-ylpyrazol-1-yl)-2-methylpropanal
PubChem CID142565706
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name2-(4-fluoro-3-pyrimidin-2-ylpyrazol-1-yl)-2-methylpropanal
SMILESCC(C)(C=O)n1cc(F)c(-c2ncccn2)n1
InChIInChI=1S/C11H11FN4O/c1-11(2,7-17)16-6-8(12)9(15-16)10-13-4-3-5-14-10/h3-7H,1-2H3
InChIKeySHBZTLWQJFGGDL-UHFFFAOYSA-N
XLogP1.41
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-pyrimidin-2-ylpyrazol-1-yl)-2-methylpropanal?
The IUPAC name of 2-(4-fluoro-3-pyrimidin-2-ylpyrazol-1-yl)-2-methylpropanal (CID 142565706) is 2-(4-fluoro-3-pyrimidin-2-ylpyrazol-1-yl)-2-methylpropanal.
What is the SMILES notation for 2-(4-fluoro-3-pyrimidin-2-ylpyrazol-1-yl)-2-methylpropanal?
The canonical SMILES for 2-(4-fluoro-3-pyrimidin-2-ylpyrazol-1-yl)-2-methylpropanal is CC(C)(C=O)n1cc(F)c(-c2ncccn2)n1.
What is the InChIKey of 2-(4-fluoro-3-pyrimidin-2-ylpyrazol-1-yl)-2-methylpropanal?
The InChIKey is SHBZTLWQJFGGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-11(2,7-17)16-6-8(12)9(15-16)10-13-4-3-5-14-10/h3-7H,1-2H3.
What are the key properties of 2-(4-fluoro-3-pyrimidin-2-ylpyrazol-1-yl)-2-methylpropanal?
2-(4-fluoro-3-pyrimidin-2-ylpyrazol-1-yl)-2-methylpropanal has a molecular weight of 234.23 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-pyrimidin-2-ylpyrazol-1-yl)-2-methylpropanal is sourced from PubChem (CID 142565706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).