1,8-dimethyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine

C12H14N4 — CID 135736035

IUPAC1,8-dimethyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine
SMILESCc1ccc2c(c1)Nc1c(cnn1C)CN2
InChIInChI=1S/C12H14N4/c1-8-3-4-10-11(5-8)15-12-9(6-13-10)7-14-16(12)2/h3-5,7,13,15H,6H2,1-2H3
InChIKeyDAFPEONLVMBPPM-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.40
Rot. Bonds

About 1,8-dimethyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine

1,8-dimethyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine (PubChem CID 135736035) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 1,8-dimethyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine.

Molecular Properties

Compound Name1,8-dimethyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine
PubChem CID135736035
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name1,8-dimethyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine
SMILESCc1ccc2c(c1)Nc1c(cnn1C)CN2
InChIInChI=1S/C12H14N4/c1-8-3-4-10-11(5-8)15-12-9(6-13-10)7-14-16(12)2/h3-5,7,13,15H,6H2,1-2H3
InChIKeyDAFPEONLVMBPPM-UHFFFAOYSA-N
XLogP2.40
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,8-dimethyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine 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 1,8-dimethyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine?
The IUPAC name of 1,8-dimethyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine (CID 135736035) is 1,8-dimethyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine.
What is the SMILES notation for 1,8-dimethyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine?
The canonical SMILES for 1,8-dimethyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine is Cc1ccc2c(c1)Nc1c(cnn1C)CN2.
What is the InChIKey of 1,8-dimethyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine?
The InChIKey is DAFPEONLVMBPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-8-3-4-10-11(5-8)15-12-9(6-13-10)7-14-16(12)2/h3-5,7,13,15H,6H2,1-2H3.
What are the key properties of 1,8-dimethyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine?
1,8-dimethyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine has a molecular weight of 214.27 g/mol, XLogP of 2.40, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine is sourced from PubChem (CID 135736035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).