2-[5-amino-3-(4-fluorophenyl)-4-formylpyrazol-1-yl]acetamide

C12H11FN4O2 — CID 82360399

IUPAC2-[5-amino-3-(4-fluorophenyl)-4-formylpyrazol-1-yl]acetamide
SMILESNC(=O)Cn1nc(-c2ccc(F)cc2)c(C=O)c1N
InChIInChI=1S/C12H11FN4O2/c13-8-3-1-7(2-4-8)11-9(6-18)12(15)17(16-11)5-10(14)19/h1-4,6H,5,15H2,(H2,14,19)
InChIKeyGQCBRWSYWDMGSJ-UHFFFAOYSA-N
MW262.24 g/mol
LogP0.57
Rot. Bonds4

About 2-[5-amino-3-(4-fluorophenyl)-4-formylpyrazol-1-yl]acetamide

2-[5-amino-3-(4-fluorophenyl)-4-formylpyrazol-1-yl]acetamide (PubChem CID 82360399) has the molecular formula C12H11FN4O2 and a molecular weight of 262.24 g/mol. Its IUPAC name is 2-[5-amino-3-(4-fluorophenyl)-4-formylpyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[5-amino-3-(4-fluorophenyl)-4-formylpyrazol-1-yl]acetamide
PubChem CID82360399
Molecular FormulaC12H11FN4O2
Molecular Weight262.24 g/mol
Exact Mass262.09
IUPAC Name2-[5-amino-3-(4-fluorophenyl)-4-formylpyrazol-1-yl]acetamide
SMILESNC(=O)Cn1nc(-c2ccc(F)cc2)c(C=O)c1N
InChIInChI=1S/C12H11FN4O2/c13-8-3-1-7(2-4-8)11-9(6-18)12(15)17(16-11)5-10(14)19/h1-4,6H,5,15H2,(H2,14,19)
InChIKeyGQCBRWSYWDMGSJ-UHFFFAOYSA-N
XLogP0.57
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
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-[5-amino-3-(4-fluorophenyl)-4-formylpyrazol-1-yl]acetamide?
The IUPAC name of 2-[5-amino-3-(4-fluorophenyl)-4-formylpyrazol-1-yl]acetamide (CID 82360399) is 2-[5-amino-3-(4-fluorophenyl)-4-formylpyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[5-amino-3-(4-fluorophenyl)-4-formylpyrazol-1-yl]acetamide?
The canonical SMILES for 2-[5-amino-3-(4-fluorophenyl)-4-formylpyrazol-1-yl]acetamide is NC(=O)Cn1nc(-c2ccc(F)cc2)c(C=O)c1N.
What is the InChIKey of 2-[5-amino-3-(4-fluorophenyl)-4-formylpyrazol-1-yl]acetamide?
The InChIKey is GQCBRWSYWDMGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2/c13-8-3-1-7(2-4-8)11-9(6-18)12(15)17(16-11)5-10(14)19/h1-4,6H,5,15H2,(H2,14,19).
What are the key properties of 2-[5-amino-3-(4-fluorophenyl)-4-formylpyrazol-1-yl]acetamide?
2-[5-amino-3-(4-fluorophenyl)-4-formylpyrazol-1-yl]acetamide has a molecular weight of 262.24 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(4-fluorophenyl)-4-formylpyrazol-1-yl]acetamide is sourced from PubChem (CID 82360399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).