3-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a][1,4]benzodiazepine

C17H15N3 — CID 59613611

IUPAC3-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a][1,4]benzodiazepine
SMILESc1ccc(-c2cnn3c2CNCc2ccccc2-3)cc1
InChIInChI=1S/C17H15N3/c1-2-6-13(7-3-1)15-11-19-20-16-9-5-4-8-14(16)10-18-12-17(15)20/h1-9,11,18H,10,12H2
InChIKeyQSFXZOFYYISPJB-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.14
Rot. Bonds1

About 3-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a][1,4]benzodiazepine

3-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a][1,4]benzodiazepine (PubChem CID 59613611) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a][1,4]benzodiazepine.

Molecular Properties

Compound Name3-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a][1,4]benzodiazepine
PubChem CID59613611
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name3-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a][1,4]benzodiazepine
SMILESc1ccc(-c2cnn3c2CNCc2ccccc2-3)cc1
InChIInChI=1S/C17H15N3/c1-2-6-13(7-3-1)15-11-19-20-16-9-5-4-8-14(16)10-18-12-17(15)20/h1-9,11,18H,10,12H2
InChIKeyQSFXZOFYYISPJB-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a][1,4]benzodiazepine?
The IUPAC name of 3-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a][1,4]benzodiazepine (CID 59613611) is 3-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a][1,4]benzodiazepine.
What is the SMILES notation for 3-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a][1,4]benzodiazepine?
The canonical SMILES for 3-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a][1,4]benzodiazepine is c1ccc(-c2cnn3c2CNCc2ccccc2-3)cc1.
What is the InChIKey of 3-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a][1,4]benzodiazepine?
The InChIKey is QSFXZOFYYISPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-2-6-13(7-3-1)15-11-19-20-16-9-5-4-8-14(16)10-18-12-17(15)20/h1-9,11,18H,10,12H2.
What are the key properties of 3-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a][1,4]benzodiazepine?
3-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a][1,4]benzodiazepine has a molecular weight of 261.33 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a][1,4]benzodiazepine is sourced from PubChem (CID 59613611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).