1-(5-formyl-2-pyridinyl)pyrazole-4-carboxamide

C10H8N4O2 — CID 80631963

IUPAC1-(5-formyl-2-pyridinyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2ccc(C=O)cn2)c1
InChIInChI=1S/C10H8N4O2/c11-10(16)8-4-13-14(5-8)9-2-1-7(6-15)3-12-9/h1-6H,(H2,11,16)
InChIKeyJFXSAXQDLDAYRW-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.18
Rot. Bonds3

About 1-(5-formyl-2-pyridinyl)pyrazole-4-carboxamide

1-(5-formyl-2-pyridinyl)pyrazole-4-carboxamide (PubChem CID 80631963) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 1-(5-formyl-2-pyridinyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(5-formyl-2-pyridinyl)pyrazole-4-carboxamide
PubChem CID80631963
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name1-(5-formyl-2-pyridinyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2ccc(C=O)cn2)c1
InChIInChI=1S/C10H8N4O2/c11-10(16)8-4-13-14(5-8)9-2-1-7(6-15)3-12-9/h1-6H,(H2,11,16)
InChIKeyJFXSAXQDLDAYRW-UHFFFAOYSA-N
XLogP0.18
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.18
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 1-(5-formyl-2-pyridinyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(5-formyl-2-pyridinyl)pyrazole-4-carboxamide (CID 80631963) is 1-(5-formyl-2-pyridinyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(5-formyl-2-pyridinyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(5-formyl-2-pyridinyl)pyrazole-4-carboxamide is NC(=O)c1cnn(-c2ccc(C=O)cn2)c1.
What is the InChIKey of 1-(5-formyl-2-pyridinyl)pyrazole-4-carboxamide?
The InChIKey is JFXSAXQDLDAYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c11-10(16)8-4-13-14(5-8)9-2-1-7(6-15)3-12-9/h1-6H,(H2,11,16).
What are the key properties of 1-(5-formyl-2-pyridinyl)pyrazole-4-carboxamide?
1-(5-formyl-2-pyridinyl)pyrazole-4-carboxamide has a molecular weight of 216.20 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-formyl-2-pyridinyl)pyrazole-4-carboxamide is sourced from PubChem (CID 80631963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).