(2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone

C18H15BrN4O — CID 137293868

IUPAC(2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone
SMILESCn1ncc2c1Nc1ccccc1N(C(=O)c1ccccc1Br)C2
InChIInChI=1S/C18H15BrN4O/c1-22-17-12(10-20-22)11-23(16-9-5-4-8-15(16)21-17)18(24)13-6-2-3-7-14(13)19/h2-10,21H,11H2,1H3
InChIKeyAKVWEHWVMWXOQA-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.09
Rot. Bonds1

About (2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone

(2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone (PubChem CID 137293868) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is (2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone
PubChem CID137293868
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC Name(2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone
SMILESCn1ncc2c1Nc1ccccc1N(C(=O)c1ccccc1Br)C2
InChIInChI=1S/C18H15BrN4O/c1-22-17-12(10-20-22)11-23(16-9-5-4-8-15(16)21-17)18(24)13-6-2-3-7-14(13)19/h2-10,21H,11H2,1H3
InChIKeyAKVWEHWVMWXOQA-UHFFFAOYSA-N
XLogP4.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone?
The IUPAC name of (2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone (CID 137293868) is (2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone is Cn1ncc2c1Nc1ccccc1N(C(=O)c1ccccc1Br)C2.
What is the InChIKey of (2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone?
The InChIKey is AKVWEHWVMWXOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O/c1-22-17-12(10-20-22)11-23(16-9-5-4-8-15(16)21-17)18(24)13-6-2-3-7-14(13)19/h2-10,21H,11H2,1H3.
What are the key properties of (2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone?
(2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone has a molecular weight of 383.25 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone is sourced from PubChem (CID 137293868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).