1-[1-methyl-6-(oxomethylidene)-3-pyridinyl]pyrazole-4-carboxamide

C11H10N4O2 — CID 176528167

IUPAC1-[1-methyl-6-(oxomethylidene)-3-pyridinyl]pyrazole-4-carboxamide
SMILESCN1C=C(n2cc(C(N)=O)cn2)C=CC1=C=O
InChIInChI=1S/C11H10N4O2/c1-14-6-9(2-3-10(14)7-16)15-5-8(4-13-15)11(12)17/h2-6H,1H3,(H2,12,17)
InChIKeyBSMDRWQLUHTTIA-UHFFFAOYSA-N
MW230.23 g/mol
LogP-0.00
Rot. Bonds2

About 1-[1-methyl-6-(oxomethylidene)-3-pyridinyl]pyrazole-4-carboxamide

1-[1-methyl-6-(oxomethylidene)-3-pyridinyl]pyrazole-4-carboxamide (PubChem CID 176528167) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-[1-methyl-6-(oxomethylidene)-3-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-methyl-6-(oxomethylidene)-3-pyridinyl]pyrazole-4-carboxamide
PubChem CID176528167
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name1-[1-methyl-6-(oxomethylidene)-3-pyridinyl]pyrazole-4-carboxamide
SMILESCN1C=C(n2cc(C(N)=O)cn2)C=CC1=C=O
InChIInChI=1S/C11H10N4O2/c1-14-6-9(2-3-10(14)7-16)15-5-8(4-13-15)11(12)17/h2-6H,1H3,(H2,12,17)
InChIKeyBSMDRWQLUHTTIA-UHFFFAOYSA-N
XLogP-0.00
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[1-methyl-6-(oxomethylidene)-3-pyridinyl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-6-(oxomethylidene)-3-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[1-methyl-6-(oxomethylidene)-3-pyridinyl]pyrazole-4-carboxamide (CID 176528167) is 1-[1-methyl-6-(oxomethylidene)-3-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[1-methyl-6-(oxomethylidene)-3-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[1-methyl-6-(oxomethylidene)-3-pyridinyl]pyrazole-4-carboxamide is CN1C=C(n2cc(C(N)=O)cn2)C=CC1=C=O.
What is the InChIKey of 1-[1-methyl-6-(oxomethylidene)-3-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is BSMDRWQLUHTTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-14-6-9(2-3-10(14)7-16)15-5-8(4-13-15)11(12)17/h2-6H,1H3,(H2,12,17).
What are the key properties of 1-[1-methyl-6-(oxomethylidene)-3-pyridinyl]pyrazole-4-carboxamide?
1-[1-methyl-6-(oxomethylidene)-3-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 230.23 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-6-(oxomethylidene)-3-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 176528167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).