N-methoxy-1-methylpyrazole-4-carboxamide

C6H9N3O2 — CID 60717662

IUPACN-methoxy-1-methylpyrazole-4-carboxamide
SMILESCONC(=O)c1cnn(C)c1
InChIInChI=1S/C6H9N3O2/c1-9-4-5(3-7-9)6(10)8-11-2/h3-4H,1-2H3,(H,8,10)
InChIKeyCMCKKXVMLKVSCZ-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.29
Rot. Bonds2

About N-methoxy-1-methylpyrazole-4-carboxamide

N-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 60717662) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is N-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID60717662
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC NameN-methoxy-1-methylpyrazole-4-carboxamide
SMILESCONC(=O)c1cnn(C)c1
InChIInChI=1S/C6H9N3O2/c1-9-4-5(3-7-9)6(10)8-11-2/h3-4H,1-2H3,(H,8,10)
InChIKeyCMCKKXVMLKVSCZ-UHFFFAOYSA-N
XLogP-0.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-methoxy-1-methylpyrazole-4-carboxamide (CID 60717662) is N-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-methoxy-1-methylpyrazole-4-carboxamide is CONC(=O)c1cnn(C)c1.
What is the InChIKey of N-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is CMCKKXVMLKVSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-9-4-5(3-7-9)6(10)8-11-2/h3-4H,1-2H3,(H,8,10).
What are the key properties of N-methoxy-1-methylpyrazole-4-carboxamide?
N-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 155.16 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 60717662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).