1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl azide

C9H8N6O — CID 10856887

IUPAC1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl azide
SMILESCn1ncc(C(=O)N=[N+]=[N-])c1-n1cccc1
InChIInChI=1S/C9H8N6O/c1-14-9(15-4-2-3-5-15)7(6-11-14)8(16)12-13-10/h2-6H,1H3
InChIKeyOJRYYPPEYHIGMT-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.66
Rot. Bonds2

About 1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl azide

1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl azide (PubChem CID 10856887) has the molecular formula C9H8N6O and a molecular weight of 216.20 g/mol. Its IUPAC name is 1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl azide.

Molecular Properties

Compound Name1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl azide
PubChem CID10856887
Molecular FormulaC9H8N6O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl azide
SMILESCn1ncc(C(=O)N=[N+]=[N-])c1-n1cccc1
InChIInChI=1S/C9H8N6O/c1-14-9(15-4-2-3-5-15)7(6-11-14)8(16)12-13-10/h2-6H,1H3
InChIKeyOJRYYPPEYHIGMT-UHFFFAOYSA-N
XLogP1.66
TPSA88.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl azide 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-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl azide?
The IUPAC name of 1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl azide (CID 10856887) is 1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl azide.
What is the SMILES notation for 1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl azide?
The canonical SMILES for 1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl azide is Cn1ncc(C(=O)N=[N+]=[N-])c1-n1cccc1.
What is the InChIKey of 1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl azide?
The InChIKey is OJRYYPPEYHIGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O/c1-14-9(15-4-2-3-5-15)7(6-11-14)8(16)12-13-10/h2-6H,1H3.
What are the key properties of 1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl azide?
1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl azide has a molecular weight of 216.20 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl azide is sourced from PubChem (CID 10856887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).