5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine

C16H10F2N4 — CID 166043263

IUPAC5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine
SMILESFc1cccc(F)c1C1=Nc2ccccc2-c2[nH]ncc2N1
InChIInChI=1S/C16H10F2N4/c17-10-5-3-6-11(18)14(10)16-20-12-7-2-1-4-9(12)15-13(21-16)8-19-22-15/h1-8H,(H,19,22)(H,20,21)
InChIKeyKFIZTJVCQKHWKM-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.86
Rot. Bonds1

About 5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine

5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine (PubChem CID 166043263) has the molecular formula C16H10F2N4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine
PubChem CID166043263
Molecular FormulaC16H10F2N4
Molecular Weight296.28 g/mol
Exact Mass296.09
IUPAC Name5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine
SMILESFc1cccc(F)c1C1=Nc2ccccc2-c2[nH]ncc2N1
InChIInChI=1S/C16H10F2N4/c17-10-5-3-6-11(18)14(10)16-20-12-7-2-1-4-9(12)15-13(21-16)8-19-22-15/h1-8H,(H,19,22)(H,20,21)
InChIKeyKFIZTJVCQKHWKM-UHFFFAOYSA-N
XLogP3.86
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine?
The IUPAC name of 5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine (CID 166043263) is 5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine.
What is the SMILES notation for 5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine?
The canonical SMILES for 5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine is Fc1cccc(F)c1C1=Nc2ccccc2-c2[nH]ncc2N1.
What is the InChIKey of 5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine?
The InChIKey is KFIZTJVCQKHWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N4/c17-10-5-3-6-11(18)14(10)16-20-12-7-2-1-4-9(12)15-13(21-16)8-19-22-15/h1-8H,(H,19,22)(H,20,21).
What are the key properties of 5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine?
5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine has a molecular weight of 296.28 g/mol, XLogP of 3.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine is sourced from PubChem (CID 166043263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).