8-chloro-5-(2-chlorophenyl)-3,7-dimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine

C18H14Cl2N4 — CID 135400876

IUPAC8-chloro-5-(2-chlorophenyl)-3,7-dimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
SMILESCc1cc2c(cc1Cl)Nc1n[nH]c(C)c1N=C2c1ccccc1Cl
InChIInChI=1S/C18H14Cl2N4/c1-9-7-12-15(8-14(9)20)21-18-16(10(2)23-24-18)22-17(12)11-5-3-4-6-13(11)19/h3-8H,1-2H3,(H2,21,23,24)
InChIKeyULBQYQPBKSEHMV-UHFFFAOYSA-N
MW357.24 g/mol
LogP5.56
Rot. Bonds1

About 8-chloro-5-(2-chlorophenyl)-3,7-dimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine

8-chloro-5-(2-chlorophenyl)-3,7-dimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine (PubChem CID 135400876) has the molecular formula C18H14Cl2N4 and a molecular weight of 357.24 g/mol. Its IUPAC name is 8-chloro-5-(2-chlorophenyl)-3,7-dimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine.

Molecular Properties

Compound Name8-chloro-5-(2-chlorophenyl)-3,7-dimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
PubChem CID135400876
Molecular FormulaC18H14Cl2N4
Molecular Weight357.24 g/mol
Exact Mass356.06
IUPAC Name8-chloro-5-(2-chlorophenyl)-3,7-dimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
SMILESCc1cc2c(cc1Cl)Nc1n[nH]c(C)c1N=C2c1ccccc1Cl
InChIInChI=1S/C18H14Cl2N4/c1-9-7-12-15(8-14(9)20)21-18-16(10(2)23-24-18)22-17(12)11-5-3-4-6-13(11)19/h3-8H,1-2H3,(H2,21,23,24)
InChIKeyULBQYQPBKSEHMV-UHFFFAOYSA-N
XLogP5.56
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.24
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-(2-chlorophenyl)-3,7-dimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine?
The IUPAC name of 8-chloro-5-(2-chlorophenyl)-3,7-dimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine (CID 135400876) is 8-chloro-5-(2-chlorophenyl)-3,7-dimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine.
What is the SMILES notation for 8-chloro-5-(2-chlorophenyl)-3,7-dimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine?
The canonical SMILES for 8-chloro-5-(2-chlorophenyl)-3,7-dimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine is Cc1cc2c(cc1Cl)Nc1n[nH]c(C)c1N=C2c1ccccc1Cl.
What is the InChIKey of 8-chloro-5-(2-chlorophenyl)-3,7-dimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine?
The InChIKey is ULBQYQPBKSEHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4/c1-9-7-12-15(8-14(9)20)21-18-16(10(2)23-24-18)22-17(12)11-5-3-4-6-13(11)19/h3-8H,1-2H3,(H2,21,23,24).
What are the key properties of 8-chloro-5-(2-chlorophenyl)-3,7-dimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine?
8-chloro-5-(2-chlorophenyl)-3,7-dimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine has a molecular weight of 357.24 g/mol, XLogP of 5.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-(2-chlorophenyl)-3,7-dimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine is sourced from PubChem (CID 135400876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).