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

C12H14N4O — CID 136817259

IUPAC7-methoxy-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine
SMILESCOc1ccc2c(c1)NCc1cnn(C)c1N2
InChIInChI=1S/C12H14N4O/c1-16-12-8(7-14-16)6-13-11-5-9(17-2)3-4-10(11)15-12/h3-5,7,13,15H,6H2,1-2H3
InChIKeyRLAVEBYYFYEKAV-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.10
Rot. Bonds1

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

7-methoxy-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine (PubChem CID 136817259) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 7-methoxy-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine.

Molecular Properties

Compound Name7-methoxy-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine
PubChem CID136817259
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name7-methoxy-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine
SMILESCOc1ccc2c(c1)NCc1cnn(C)c1N2
InChIInChI=1S/C12H14N4O/c1-16-12-8(7-14-16)6-13-11-5-9(17-2)3-4-10(11)15-12/h3-5,7,13,15H,6H2,1-2H3
InChIKeyRLAVEBYYFYEKAV-UHFFFAOYSA-N
XLogP2.10
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine?
The IUPAC name of 7-methoxy-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine (CID 136817259) is 7-methoxy-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine.
What is the SMILES notation for 7-methoxy-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine?
The canonical SMILES for 7-methoxy-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine is COc1ccc2c(c1)NCc1cnn(C)c1N2.
What is the InChIKey of 7-methoxy-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine?
The InChIKey is RLAVEBYYFYEKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-16-12-8(7-14-16)6-13-11-5-9(17-2)3-4-10(11)15-12/h3-5,7,13,15H,6H2,1-2H3.
What are the key properties of 7-methoxy-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine?
7-methoxy-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine has a molecular weight of 230.27 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine is sourced from PubChem (CID 136817259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).