N-(3-methoxy-1-methylpyrazol-5-yl)formamide

C6H9N3O2 — CID 139632601

IUPACN-(3-methoxy-1-methylpyrazol-5-yl)formamide
SMILESCOc1cc(NC=O)n(C)n1
InChIInChI=1S/C6H9N3O2/c1-9-5(7-4-10)3-6(8-9)11-2/h3-4H,1-2H3,(H,7,10)
InChIKeyABKRXIXGDDUOAF-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.00
Rot. Bonds3

About N-(3-methoxy-1-methylpyrazol-5-yl)formamide

N-(3-methoxy-1-methylpyrazol-5-yl)formamide (PubChem CID 139632601) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is N-(3-methoxy-1-methylpyrazol-5-yl)formamide.

Molecular Properties

Compound NameN-(3-methoxy-1-methylpyrazol-5-yl)formamide
PubChem CID139632601
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC NameN-(3-methoxy-1-methylpyrazol-5-yl)formamide
SMILESCOc1cc(NC=O)n(C)n1
InChIInChI=1S/C6H9N3O2/c1-9-5(7-4-10)3-6(8-9)11-2/h3-4H,1-2H3,(H,7,10)
InChIKeyABKRXIXGDDUOAF-UHFFFAOYSA-N
XLogP-0.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-methoxy-1-methylpyrazol-5-yl)formamide 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 N-(3-methoxy-1-methylpyrazol-5-yl)formamide?
The IUPAC name of N-(3-methoxy-1-methylpyrazol-5-yl)formamide (CID 139632601) is N-(3-methoxy-1-methylpyrazol-5-yl)formamide.
What is the SMILES notation for N-(3-methoxy-1-methylpyrazol-5-yl)formamide?
The canonical SMILES for N-(3-methoxy-1-methylpyrazol-5-yl)formamide is COc1cc(NC=O)n(C)n1.
What is the InChIKey of N-(3-methoxy-1-methylpyrazol-5-yl)formamide?
The InChIKey is ABKRXIXGDDUOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-9-5(7-4-10)3-6(8-9)11-2/h3-4H,1-2H3,(H,7,10).
What are the key properties of N-(3-methoxy-1-methylpyrazol-5-yl)formamide?
N-(3-methoxy-1-methylpyrazol-5-yl)formamide has a molecular weight of 155.16 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1-methylpyrazol-5-yl)formamide is sourced from PubChem (CID 139632601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).