1-phenyl-5,10-dihydro-4H-pyrazolo[5,4-a]carbazole

C19H15N3 — CID 876853

IUPAC1-phenyl-5,10-dihydro-4H-pyrazolo[5,4-a]carbazole
SMILESc1ccc(-n2ncc3c2-c2[nH]c4ccccc4c2CC3)cc1
InChIInChI=1S/C19H15N3/c1-2-6-14(7-3-1)22-19-13(12-20-22)10-11-16-15-8-4-5-9-17(15)21-18(16)19/h1-9,12,21H,10-11H2
InChIKeyBOOHTZRUESTTDE-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.12
Rot. Bonds1

About 1-phenyl-5,10-dihydro-4H-pyrazolo[5,4-a]carbazole

1-phenyl-5,10-dihydro-4H-pyrazolo[5,4-a]carbazole (PubChem CID 876853) has the molecular formula C19H15N3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-phenyl-5,10-dihydro-4H-pyrazolo[5,4-a]carbazole.

Molecular Properties

Compound Name1-phenyl-5,10-dihydro-4H-pyrazolo[5,4-a]carbazole
PubChem CID876853
Molecular FormulaC19H15N3
Molecular Weight285.35 g/mol
Exact Mass285.13
IUPAC Name1-phenyl-5,10-dihydro-4H-pyrazolo[5,4-a]carbazole
SMILESc1ccc(-n2ncc3c2-c2[nH]c4ccccc4c2CC3)cc1
InChIInChI=1S/C19H15N3/c1-2-6-14(7-3-1)22-19-13(12-20-22)10-11-16-15-8-4-5-9-17(15)21-18(16)19/h1-9,12,21H,10-11H2
InChIKeyBOOHTZRUESTTDE-UHFFFAOYSA-N
XLogP4.12
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5,10-dihydro-4H-pyrazolo[5,4-a]carbazole?
The IUPAC name of 1-phenyl-5,10-dihydro-4H-pyrazolo[5,4-a]carbazole (CID 876853) is 1-phenyl-5,10-dihydro-4H-pyrazolo[5,4-a]carbazole.
What is the SMILES notation for 1-phenyl-5,10-dihydro-4H-pyrazolo[5,4-a]carbazole?
The canonical SMILES for 1-phenyl-5,10-dihydro-4H-pyrazolo[5,4-a]carbazole is c1ccc(-n2ncc3c2-c2[nH]c4ccccc4c2CC3)cc1.
What is the InChIKey of 1-phenyl-5,10-dihydro-4H-pyrazolo[5,4-a]carbazole?
The InChIKey is BOOHTZRUESTTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3/c1-2-6-14(7-3-1)22-19-13(12-20-22)10-11-16-15-8-4-5-9-17(15)21-18(16)19/h1-9,12,21H,10-11H2.
What are the key properties of 1-phenyl-5,10-dihydro-4H-pyrazolo[5,4-a]carbazole?
1-phenyl-5,10-dihydro-4H-pyrazolo[5,4-a]carbazole has a molecular weight of 285.35 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5,10-dihydro-4H-pyrazolo[5,4-a]carbazole is sourced from PubChem (CID 876853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).