4-(2-chlorophenyl)-3-methyl-1-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one

C19H15ClN4O — CID 136504191

IUPAC4-(2-chlorophenyl)-3-methyl-1-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one
SMILESCc1nn(-c2ccccc2)c2c1C(c1ccccc1Cl)=NCC(=O)N2
InChIInChI=1S/C19H15ClN4O/c1-12-17-18(14-9-5-6-10-15(14)20)21-11-16(25)22-19(17)24(23-12)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,22,25)
InChIKeyWPIORRPICKGZFZ-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.62
Rot. Bonds2

About 4-(2-chlorophenyl)-3-methyl-1-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one

4-(2-chlorophenyl)-3-methyl-1-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one (PubChem CID 136504191) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-3-methyl-1-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-3-methyl-1-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one
PubChem CID136504191
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name4-(2-chlorophenyl)-3-methyl-1-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one
SMILESCc1nn(-c2ccccc2)c2c1C(c1ccccc1Cl)=NCC(=O)N2
InChIInChI=1S/C19H15ClN4O/c1-12-17-18(14-9-5-6-10-15(14)20)21-11-16(25)22-19(17)24(23-12)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,22,25)
InChIKeyWPIORRPICKGZFZ-UHFFFAOYSA-N
XLogP3.62
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-3-methyl-1-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one?
The IUPAC name of 4-(2-chlorophenyl)-3-methyl-1-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one (CID 136504191) is 4-(2-chlorophenyl)-3-methyl-1-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one.
What is the SMILES notation for 4-(2-chlorophenyl)-3-methyl-1-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one?
The canonical SMILES for 4-(2-chlorophenyl)-3-methyl-1-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one is Cc1nn(-c2ccccc2)c2c1C(c1ccccc1Cl)=NCC(=O)N2.
What is the InChIKey of 4-(2-chlorophenyl)-3-methyl-1-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one?
The InChIKey is WPIORRPICKGZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c1-12-17-18(14-9-5-6-10-15(14)20)21-11-16(25)22-19(17)24(23-12)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,22,25).
What are the key properties of 4-(2-chlorophenyl)-3-methyl-1-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one?
4-(2-chlorophenyl)-3-methyl-1-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one has a molecular weight of 350.81 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-3-methyl-1-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one is sourced from PubChem (CID 136504191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).