N-[5-(1-ethylpyrazol-4-yl)-2-formyl-3-pyridinyl]acetamide

C13H14N4O2 — CID 176581728

IUPACN-[5-(1-ethylpyrazol-4-yl)-2-formyl-3-pyridinyl]acetamide
SMILESCCn1cc(-c2cnc(C=O)c(NC(C)=O)c2)cn1
InChIInChI=1S/C13H14N4O2/c1-3-17-7-11(6-15-17)10-4-12(16-9(2)19)13(8-18)14-5-10/h4-8H,3H2,1-2H3,(H,16,19)
InChIKeyBNGOMFWFFFIRLP-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.74
Rot. Bonds4

About N-[5-(1-ethylpyrazol-4-yl)-2-formyl-3-pyridinyl]acetamide

N-[5-(1-ethylpyrazol-4-yl)-2-formyl-3-pyridinyl]acetamide (PubChem CID 176581728) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[5-(1-ethylpyrazol-4-yl)-2-formyl-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(1-ethylpyrazol-4-yl)-2-formyl-3-pyridinyl]acetamide
PubChem CID176581728
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-[5-(1-ethylpyrazol-4-yl)-2-formyl-3-pyridinyl]acetamide
SMILESCCn1cc(-c2cnc(C=O)c(NC(C)=O)c2)cn1
InChIInChI=1S/C13H14N4O2/c1-3-17-7-11(6-15-17)10-4-12(16-9(2)19)13(8-18)14-5-10/h4-8H,3H2,1-2H3,(H,16,19)
InChIKeyBNGOMFWFFFIRLP-UHFFFAOYSA-N
XLogP1.74
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
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 N-[5-(1-ethylpyrazol-4-yl)-2-formyl-3-pyridinyl]acetamide?
The IUPAC name of N-[5-(1-ethylpyrazol-4-yl)-2-formyl-3-pyridinyl]acetamide (CID 176581728) is N-[5-(1-ethylpyrazol-4-yl)-2-formyl-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(1-ethylpyrazol-4-yl)-2-formyl-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-(1-ethylpyrazol-4-yl)-2-formyl-3-pyridinyl]acetamide is CCn1cc(-c2cnc(C=O)c(NC(C)=O)c2)cn1.
What is the InChIKey of N-[5-(1-ethylpyrazol-4-yl)-2-formyl-3-pyridinyl]acetamide?
The InChIKey is BNGOMFWFFFIRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-3-17-7-11(6-15-17)10-4-12(16-9(2)19)13(8-18)14-5-10/h4-8H,3H2,1-2H3,(H,16,19).
What are the key properties of N-[5-(1-ethylpyrazol-4-yl)-2-formyl-3-pyridinyl]acetamide?
N-[5-(1-ethylpyrazol-4-yl)-2-formyl-3-pyridinyl]acetamide has a molecular weight of 258.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-ethylpyrazol-4-yl)-2-formyl-3-pyridinyl]acetamide is sourced from PubChem (CID 176581728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).