3-(5-amino-1-phenylpyrazol-3-yl)-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one

C25H20ClN5O — CID 11775068

IUPAC3-(5-amino-1-phenylpyrazol-3-yl)-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESCN1C(=O)C(c2cc(N)n(-c3ccccc3)n2)N=C(c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C25H20ClN5O/c1-30-21-13-12-17(26)14-19(21)23(16-8-4-2-5-9-16)28-24(25(30)32)20-15-22(27)31(29-20)18-10-6-3-7-11-18/h2-15,24H,27H2,1H3
InChIKeyLYELLXXCLDOIIN-UHFFFAOYSA-N
MW441.92 g/mol
LogP4.66
Rot. Bonds3

About 3-(5-amino-1-phenylpyrazol-3-yl)-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one

3-(5-amino-1-phenylpyrazol-3-yl)-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one (PubChem CID 11775068) has the molecular formula C25H20ClN5O and a molecular weight of 441.92 g/mol. Its IUPAC name is 3-(5-amino-1-phenylpyrazol-3-yl)-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-(5-amino-1-phenylpyrazol-3-yl)-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
PubChem CID11775068
Molecular FormulaC25H20ClN5O
Molecular Weight441.92 g/mol
Exact Mass441.14
IUPAC Name3-(5-amino-1-phenylpyrazol-3-yl)-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESCN1C(=O)C(c2cc(N)n(-c3ccccc3)n2)N=C(c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C25H20ClN5O/c1-30-21-13-12-17(26)14-19(21)23(16-8-4-2-5-9-16)28-24(25(30)32)20-15-22(27)31(29-20)18-10-6-3-7-11-18/h2-15,24H,27H2,1H3
InChIKeyLYELLXXCLDOIIN-UHFFFAOYSA-N
XLogP4.66
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-amino-1-phenylpyrazol-3-yl)-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1-phenylpyrazol-3-yl)-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 3-(5-amino-1-phenylpyrazol-3-yl)-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one (CID 11775068) is 3-(5-amino-1-phenylpyrazol-3-yl)-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 3-(5-amino-1-phenylpyrazol-3-yl)-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-(5-amino-1-phenylpyrazol-3-yl)-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one is CN1C(=O)C(c2cc(N)n(-c3ccccc3)n2)N=C(c2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of 3-(5-amino-1-phenylpyrazol-3-yl)-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
The InChIKey is LYELLXXCLDOIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O/c1-30-21-13-12-17(26)14-19(21)23(16-8-4-2-5-9-16)28-24(25(30)32)20-15-22(27)31(29-20)18-10-6-3-7-11-18/h2-15,24H,27H2,1H3.
What are the key properties of 3-(5-amino-1-phenylpyrazol-3-yl)-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one?
3-(5-amino-1-phenylpyrazol-3-yl)-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one has a molecular weight of 441.92 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1-phenylpyrazol-3-yl)-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 11775068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).