1,3-diphenyl-10H-pyrazolo[5,4-b][1,5]benzodiazepine

C22H16N4 — CID 135493484

IUPAC1,3-diphenyl-10H-pyrazolo[5,4-b][1,5]benzodiazepine
SMILESC1=Nc2ccccc2Nc2c1c(-c1ccccc1)nn2-c1ccccc1
InChIInChI=1S/C22H16N4/c1-3-9-16(10-4-1)21-18-15-23-19-13-7-8-14-20(19)24-22(18)26(25-21)17-11-5-2-6-12-17/h1-15,24H
InChIKeySOPYMTPOGCVAIZ-UHFFFAOYSA-N
MW336.40 g/mol
LogP5.35
Rot. Bonds2

About 1,3-diphenyl-10H-pyrazolo[5,4-b][1,5]benzodiazepine

1,3-diphenyl-10H-pyrazolo[5,4-b][1,5]benzodiazepine (PubChem CID 135493484) has the molecular formula C22H16N4 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1,3-diphenyl-10H-pyrazolo[5,4-b][1,5]benzodiazepine.

Molecular Properties

Compound Name1,3-diphenyl-10H-pyrazolo[5,4-b][1,5]benzodiazepine
PubChem CID135493484
Molecular FormulaC22H16N4
Molecular Weight336.40 g/mol
Exact Mass336.14
IUPAC Name1,3-diphenyl-10H-pyrazolo[5,4-b][1,5]benzodiazepine
SMILESC1=Nc2ccccc2Nc2c1c(-c1ccccc1)nn2-c1ccccc1
InChIInChI=1S/C22H16N4/c1-3-9-16(10-4-1)21-18-15-23-19-13-7-8-14-20(19)24-22(18)26(25-21)17-11-5-2-6-12-17/h1-15,24H
InChIKeySOPYMTPOGCVAIZ-UHFFFAOYSA-N
XLogP5.35
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.40
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(4-fluorophenyl)-1,3-diphenyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine
CID 135887506
1,3,4-triphenylpyrazole-5-carboxylic acid
CID 15566290
4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584
5-methyl-1,3,4-triphenylpyrazole
CID 1202580
5-methyl-1,3-diphenylpyrazolo[4,3-d]pyrimidine
CID 57380816
1,3,5-triphenyl-4-pyrazol-1-ylpyrazole
CID 57355521
4-methyl-1,3-diphenylpyrazol-5-amine
CID 43336769
5-chloro-4-methyl-1,3-diphenylpyrazole
CID 104847504
1,3-diphenylthieno[3,4-d]pyridazin-4-one
CID 134113755
1,3-diphenyl-5-pyridin-4-ylpyrazolo[4,3-d]pyrimidine
CID 57381040
1,3,5-triphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 101449994
2-(11H-benzo[b][1,4]benzodiazepin-7-yl)benzoic acid
CID 23160091

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-10H-pyrazolo[5,4-b][1,5]benzodiazepine?
The IUPAC name of 1,3-diphenyl-10H-pyrazolo[5,4-b][1,5]benzodiazepine (CID 135493484) is 1,3-diphenyl-10H-pyrazolo[5,4-b][1,5]benzodiazepine.
What is the SMILES notation for 1,3-diphenyl-10H-pyrazolo[5,4-b][1,5]benzodiazepine?
The canonical SMILES for 1,3-diphenyl-10H-pyrazolo[5,4-b][1,5]benzodiazepine is C1=Nc2ccccc2Nc2c1c(-c1ccccc1)nn2-c1ccccc1.
What is the InChIKey of 1,3-diphenyl-10H-pyrazolo[5,4-b][1,5]benzodiazepine?
The InChIKey is SOPYMTPOGCVAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4/c1-3-9-16(10-4-1)21-18-15-23-19-13-7-8-14-20(19)24-22(18)26(25-21)17-11-5-2-6-12-17/h1-15,24H.
What are the key properties of 1,3-diphenyl-10H-pyrazolo[5,4-b][1,5]benzodiazepine?
1,3-diphenyl-10H-pyrazolo[5,4-b][1,5]benzodiazepine has a molecular weight of 336.40 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-10H-pyrazolo[5,4-b][1,5]benzodiazepine is sourced from PubChem (CID 135493484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).