7-chloro-2,10-dimethyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one

C18H15ClN4O — CID 53326502

IUPAC7-chloro-2,10-dimethyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one
SMILESCN1c2ccc(Cl)cc2N(c2ccccc2)C(=O)c2cn(C)nc21
InChIInChI=1S/C18H15ClN4O/c1-21-11-14-17(20-21)22(2)15-9-8-12(19)10-16(15)23(18(14)24)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyDNCHUUHDFKEFKT-UHFFFAOYSA-N
MW338.80 g/mol
LogP4.13
Rot. Bonds1

About 7-chloro-2,10-dimethyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one

7-chloro-2,10-dimethyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one (PubChem CID 53326502) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 7-chloro-2,10-dimethyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one.

Molecular Properties

Compound Name7-chloro-2,10-dimethyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one
PubChem CID53326502
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name7-chloro-2,10-dimethyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one
SMILESCN1c2ccc(Cl)cc2N(c2ccccc2)C(=O)c2cn(C)nc21
InChIInChI=1S/C18H15ClN4O/c1-21-11-14-17(20-21)22(2)15-9-8-12(19)10-16(15)23(18(14)24)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyDNCHUUHDFKEFKT-UHFFFAOYSA-N
XLogP4.13
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,10-dimethyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one?
The IUPAC name of 7-chloro-2,10-dimethyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one (CID 53326502) is 7-chloro-2,10-dimethyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one.
What is the SMILES notation for 7-chloro-2,10-dimethyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one?
The canonical SMILES for 7-chloro-2,10-dimethyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one is CN1c2ccc(Cl)cc2N(c2ccccc2)C(=O)c2cn(C)nc21.
What is the InChIKey of 7-chloro-2,10-dimethyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one?
The InChIKey is DNCHUUHDFKEFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c1-21-11-14-17(20-21)22(2)15-9-8-12(19)10-16(15)23(18(14)24)13-6-4-3-5-7-13/h3-11H,1-2H3.
What are the key properties of 7-chloro-2,10-dimethyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one?
7-chloro-2,10-dimethyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one has a molecular weight of 338.80 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,10-dimethyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one is sourced from PubChem (CID 53326502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).