N-benzyl-N-methyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide

C21H23N5O — CID 162658829

IUPACN-benzyl-N-methyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide
SMILESCN(Cc1ccccc1)C(=O)CN1Cc2cnn(C)c2Nc2ccccc21
InChIInChI=1S/C21H23N5O/c1-24(13-16-8-4-3-5-9-16)20(27)15-26-14-17-12-22-25(2)21(17)23-18-10-6-7-11-19(18)26/h3-12,23H,13-15H2,1-2H3
InChIKeyYAJWUHBXVCPFLO-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.14
Rot. Bonds4

About N-benzyl-N-methyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide

N-benzyl-N-methyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide (PubChem CID 162658829) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide
PubChem CID162658829
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-benzyl-N-methyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide
SMILESCN(Cc1ccccc1)C(=O)CN1Cc2cnn(C)c2Nc2ccccc21
InChIInChI=1S/C21H23N5O/c1-24(13-16-8-4-3-5-9-16)20(27)15-26-14-17-12-22-25(2)21(17)23-18-10-6-7-11-19(18)26/h3-12,23H,13-15H2,1-2H3
InChIKeyYAJWUHBXVCPFLO-UHFFFAOYSA-N
XLogP3.14
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide?
The IUPAC name of N-benzyl-N-methyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide (CID 162658829) is N-benzyl-N-methyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide is CN(Cc1ccccc1)C(=O)CN1Cc2cnn(C)c2Nc2ccccc21.
What is the InChIKey of N-benzyl-N-methyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide?
The InChIKey is YAJWUHBXVCPFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-24(13-16-8-4-3-5-9-16)20(27)15-26-14-17-12-22-25(2)21(17)23-18-10-6-7-11-19(18)26/h3-12,23H,13-15H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide?
N-benzyl-N-methyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide has a molecular weight of 361.45 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide is sourced from PubChem (CID 162658829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).