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

C23H16N4O2 — CID 11545376

IUPAC7-amino-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide
SMILESNc1ccc2c(c1)C(=O)c1c(C(=O)Nc3ccccc3-n3cccn3)cccc1-2
InChIInChI=1S/C23H16N4O2/c24-14-9-10-15-16-5-3-6-17(21(16)22(28)18(15)13-14)23(29)26-19-7-1-2-8-20(19)27-12-4-11-25-27/h1-13H,24H2,(H,26,29)
InChIKeyDKOYEHUSUNLHJS-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.92
Rot. Bonds3

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

7-amino-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide (PubChem CID 11545376) has the molecular formula C23H16N4O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 7-amino-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide.

Molecular Properties

Compound Name7-amino-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide
PubChem CID11545376
Molecular FormulaC23H16N4O2
Molecular Weight380.41 g/mol
Exact Mass380.13
IUPAC Name7-amino-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide
SMILESNc1ccc2c(c1)C(=O)c1c(C(=O)Nc3ccccc3-n3cccn3)cccc1-2
InChIInChI=1S/C23H16N4O2/c24-14-9-10-15-16-5-3-6-17(21(16)22(28)18(15)13-14)23(29)26-19-7-1-2-8-20(19)27-12-4-11-25-27/h1-13H,24H2,(H,26,29)
InChIKeyDKOYEHUSUNLHJS-UHFFFAOYSA-N
XLogP3.92
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide
CID 11696276
N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide
CID 3343697
6-bromo-N-(2-pyrazol-1-ylphenyl)pyridine-2-carboxamide
CID 103874264
6-chloro-N-(2-pyrazol-1-ylphenyl)pyridazine-3-carboxamide
CID 61041740
6-oxo-N-(2-pyrazol-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61276124
1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea
CID 110470431
methyl 2-[3-[(2-pyrazol-1-ylphenyl)carbamoyl]phenoxy]acetate
CID 154774881
4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide
CID 47045211
N-(2-bromo-4-fluorophenyl)-2-pyrazol-1-ylbenzamide
CID 87004304
3-methyl-N-(2-pyrazol-1-ylphenyl)but-2-enamide
CID 47234607
N-[3-[(2-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-4-carboxamide
CID 167847500
6-amino-1-(methylamino)anthracene-9,10-dione
CID 154343227

Frequently Asked Questions

What is the IUPAC name of 7-amino-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide?
The IUPAC name of 7-amino-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide (CID 11545376) is 7-amino-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide.
What is the SMILES notation for 7-amino-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide?
The canonical SMILES for 7-amino-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide is Nc1ccc2c(c1)C(=O)c1c(C(=O)Nc3ccccc3-n3cccn3)cccc1-2.
What is the InChIKey of 7-amino-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide?
The InChIKey is DKOYEHUSUNLHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2/c24-14-9-10-15-16-5-3-6-17(21(16)22(28)18(15)13-14)23(29)26-19-7-1-2-8-20(19)27-12-4-11-25-27/h1-13H,24H2,(H,26,29).
What are the key properties of 7-amino-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide?
7-amino-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-9-oxo-N-(2-pyrazol-1-ylphenyl)fluorene-1-carboxamide is sourced from PubChem (CID 11545376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).