7-azido-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide

C23H14N6O2 — CID 11495153

IUPAC7-azido-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide
SMILES[N-]=[N+]=Nc1ccc2c(c1)C(=O)c1c(C(=O)Nc3ccccc3-n3cccn3)cccc1-2
InChIInChI=1S/C23H14N6O2/c24-28-27-14-9-10-15-16-5-3-6-17(21(16)22(30)18(15)13-14)23(31)26-19-7-1-2-8-20(19)29-12-4-11-25-29/h1-13H,(H,26,31)
InChIKeyMXQRSSKVGIQYMC-UHFFFAOYSA-N
MW406.41 g/mol
LogP5.28
Rot. Bonds4

About 7-azido-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide

7-azido-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide (PubChem CID 11495153) has the molecular formula C23H14N6O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is 7-azido-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide.

Molecular Properties

Compound Name7-azido-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide
PubChem CID11495153
Molecular FormulaC23H14N6O2
Molecular Weight406.41 g/mol
Exact Mass406.12
IUPAC Name7-azido-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide
SMILES[N-]=[N+]=Nc1ccc2c(c1)C(=O)c1c(C(=O)Nc3ccccc3-n3cccn3)cccc1-2
InChIInChI=1S/C23H14N6O2/c24-28-27-14-9-10-15-16-5-3-6-17(21(16)22(30)18(15)13-14)23(31)26-19-7-1-2-8-20(19)29-12-4-11-25-29/h1-13H,(H,26,31)
InChIKeyMXQRSSKVGIQYMC-UHFFFAOYSA-N
XLogP5.28
TPSA112.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.41
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 7-azido-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide?
The IUPAC name of 7-azido-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide (CID 11495153) is 7-azido-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide.
What is the SMILES notation for 7-azido-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide?
The canonical SMILES for 7-azido-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide is [N-]=[N+]=Nc1ccc2c(c1)C(=O)c1c(C(=O)Nc3ccccc3-n3cccn3)cccc1-2.
What is the InChIKey of 7-azido-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide?
The InChIKey is MXQRSSKVGIQYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N6O2/c24-28-27-14-9-10-15-16-5-3-6-17(21(16)22(30)18(15)13-14)23(31)26-19-7-1-2-8-20(19)29-12-4-11-25-29/h1-13H,(H,26,31).
What are the key properties of 7-azido-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide?
7-azido-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide has a molecular weight of 406.41 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azido-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide is sourced from PubChem (CID 11495153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).