5,5,10-trimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one

C21H22N2O — CID 155667553

IUPAC5,5,10-trimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one
SMILESCc1ccc2c(c1)N1CCC(=O)N1C(C)(C)C=C2c1ccccc1
InChIInChI=1S/C21H22N2O/c1-15-9-10-17-18(16-7-5-4-6-8-16)14-21(2,3)23-20(24)11-12-22(23)19(17)13-15/h4-10,13-14H,11-12H2,1-3H3
InChIKeyUXZZGULGCZMBLZ-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.17
Rot. Bonds1

About 5,5,10-trimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one

5,5,10-trimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one (PubChem CID 155667553) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 5,5,10-trimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one.

Molecular Properties

Compound Name5,5,10-trimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one
PubChem CID155667553
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name5,5,10-trimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one
SMILESCc1ccc2c(c1)N1CCC(=O)N1C(C)(C)C=C2c1ccccc1
InChIInChI=1S/C21H22N2O/c1-15-9-10-17-18(16-7-5-4-6-8-16)14-21(2,3)23-20(24)11-12-22(23)19(17)13-15/h4-10,13-14H,11-12H2,1-3H3
InChIKeyUXZZGULGCZMBLZ-UHFFFAOYSA-N
XLogP4.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,5,10-trimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-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 5,5,10-trimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one?
The IUPAC name of 5,5,10-trimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one (CID 155667553) is 5,5,10-trimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one.
What is the SMILES notation for 5,5,10-trimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one?
The canonical SMILES for 5,5,10-trimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one is Cc1ccc2c(c1)N1CCC(=O)N1C(C)(C)C=C2c1ccccc1.
What is the InChIKey of 5,5,10-trimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one?
The InChIKey is UXZZGULGCZMBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-15-9-10-17-18(16-7-5-4-6-8-16)14-21(2,3)23-20(24)11-12-22(23)19(17)13-15/h4-10,13-14H,11-12H2,1-3H3.
What are the key properties of 5,5,10-trimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one?
5,5,10-trimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one has a molecular weight of 318.42 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,10-trimethyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one is sourced from PubChem (CID 155667553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).