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

C19H17ClN4 — CID 135414401

IUPAC5-(2-chlorophenyl)-3,7,8-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
SMILESCc1cc2c(cc1C)C(c1ccccc1Cl)=Nc1c(n[nH]c1C)N2
InChIInChI=1S/C19H17ClN4/c1-10-8-14-16(9-11(10)2)21-19-17(12(3)23-24-19)22-18(14)13-6-4-5-7-15(13)20/h4-9H,1-3H3,(H2,21,23,24)
InChIKeyIJTIRJHLOGNYGW-UHFFFAOYSA-N
MW336.83 g/mol
LogP5.21
Rot. Bonds1

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

5-(2-chlorophenyl)-3,7,8-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine (PubChem CID 135414401) has the molecular formula C19H17ClN4 and a molecular weight of 336.83 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3,7,8-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3,7,8-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
PubChem CID135414401
Molecular FormulaC19H17ClN4
Molecular Weight336.83 g/mol
Exact Mass336.11
IUPAC Name5-(2-chlorophenyl)-3,7,8-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
SMILESCc1cc2c(cc1C)C(c1ccccc1Cl)=Nc1c(n[nH]c1C)N2
InChIInChI=1S/C19H17ClN4/c1-10-8-14-16(9-11(10)2)21-19-17(12(3)23-24-19)22-18(14)13-6-4-5-7-15(13)20/h4-9H,1-3H3,(H2,21,23,24)
InChIKeyIJTIRJHLOGNYGW-UHFFFAOYSA-N
XLogP5.21
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.83
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2-chlorophenyl)-3,7,8-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine with MolForge

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

Launch Full Analysis

Related Compounds

8-chloro-5-(2-chlorophenyl)-3,7-dimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 135400876
5-(2-chlorophenyl)-7-fluoro-8-methoxy-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 135398512
9-(2-chlorophenyl)-6,12-dimethyl-2,4,5,8,11-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3,6,8,11,13-hexaene
CID 137294058
5-(2-chlorophenyl)-8-[2-[2-methoxyethyl(methyl)amino]ethoxy]-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine-7-carbonitrile
CID 135475961
9-(3-chloro-4-pyridinyl)-13-ethyl-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3,6,8,11,13-hexaene
CID 137294023
4-[9-(3-chloro-4-pyridinyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaen-13-yl]morpholine
CID 137294013
5-(2-chlorophenyl)-3,7-dimethyl-2-methylidene-1,3-dihydro-1,4-benzodiazepine
CID 143870470
9-(2-chlorophenyl)-12-cyclopropyl-6-methyl-2,4,8,13-tetrazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaene
CID 158648130
(3Z)-5-(2-chlorophenyl)-3-(dimethylaminomethylidene)-8-methoxy-7-methyl-1H-1,4-benzodiazepine-2-thione;5-(2-chlorophenyl)-8-methoxy-7-methyl-1,3-dihydro-1,4-benzodiazepine-2-thione;5-(2-chlorophenyl)-8-methoxy-7-methyl-1,10-dihydropyrazolo[5,4-b][1,4]benzodiazepine
CID 158042359
9-(2-chlorophenyl)-13-methoxy-6-methyl-2,4,8,12-tetrazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaene
CID 148810216
3-(2-chlorophenyl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 779629
(3S)-7-bromo-5-(2-chlorophenyl)-3-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 1372514

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3,7,8-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine?
The IUPAC name of 5-(2-chlorophenyl)-3,7,8-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine (CID 135414401) is 5-(2-chlorophenyl)-3,7,8-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine.
What is the SMILES notation for 5-(2-chlorophenyl)-3,7,8-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine?
The canonical SMILES for 5-(2-chlorophenyl)-3,7,8-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine is Cc1cc2c(cc1C)C(c1ccccc1Cl)=Nc1c(n[nH]c1C)N2.
What is the InChIKey of 5-(2-chlorophenyl)-3,7,8-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine?
The InChIKey is IJTIRJHLOGNYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4/c1-10-8-14-16(9-11(10)2)21-19-17(12(3)23-24-19)22-18(14)13-6-4-5-7-15(13)20/h4-9H,1-3H3,(H2,21,23,24).
What are the key properties of 5-(2-chlorophenyl)-3,7,8-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine?
5-(2-chlorophenyl)-3,7,8-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine has a molecular weight of 336.83 g/mol, XLogP of 5.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3,7,8-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine is sourced from PubChem (CID 135414401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).