7-chloro-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine

C11H11ClN4 — CID 136817262

IUPAC7-chloro-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine
SMILESCn1ncc2c1Nc1ccc(Cl)cc1NC2
InChIInChI=1S/C11H11ClN4/c1-16-11-7(6-14-16)5-13-10-4-8(12)2-3-9(10)15-11/h2-4,6,13,15H,5H2,1H3
InChIKeyPTGWFPPEMAOWKB-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.74
Rot. Bonds

About 7-chloro-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine

7-chloro-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine (PubChem CID 136817262) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 7-chloro-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine.

Molecular Properties

Compound Name7-chloro-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine
PubChem CID136817262
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name7-chloro-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine
SMILESCn1ncc2c1Nc1ccc(Cl)cc1NC2
InChIInChI=1S/C11H11ClN4/c1-16-11-7(6-14-16)5-13-10-4-8(12)2-3-9(10)15-11/h2-4,6,13,15H,5H2,1H3
InChIKeyPTGWFPPEMAOWKB-UHFFFAOYSA-N
XLogP2.74
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine?
The IUPAC name of 7-chloro-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine (CID 136817262) is 7-chloro-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine.
What is the SMILES notation for 7-chloro-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine?
The canonical SMILES for 7-chloro-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine is Cn1ncc2c1Nc1ccc(Cl)cc1NC2.
What is the InChIKey of 7-chloro-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine?
The InChIKey is PTGWFPPEMAOWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c1-16-11-7(6-14-16)5-13-10-4-8(12)2-3-9(10)15-11/h2-4,6,13,15H,5H2,1H3.
What are the key properties of 7-chloro-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine?
7-chloro-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine has a molecular weight of 234.69 g/mol, XLogP of 2.74, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine is sourced from PubChem (CID 136817262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).