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

C22H25N5O — CID 162649131

IUPACN-benzyl-N-ethyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1Cc2cnn(C)c2Nc2ccccc21
InChIInChI=1S/C22H25N5O/c1-3-26(14-17-9-5-4-6-10-17)21(28)16-27-15-18-13-23-25(2)22(18)24-19-11-7-8-12-20(19)27/h4-13,24H,3,14-16H2,1-2H3
InChIKeyVFASXXVLGLIHQQ-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.53
Rot. Bonds5

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

N-benzyl-N-ethyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide (PubChem CID 162649131) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide
PubChem CID162649131
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-benzyl-N-ethyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1Cc2cnn(C)c2Nc2ccccc21
InChIInChI=1S/C22H25N5O/c1-3-26(14-17-9-5-4-6-10-17)21(28)16-27-15-18-13-23-25(2)22(18)24-19-11-7-8-12-20(19)27/h4-13,24H,3,14-16H2,1-2H3
InChIKeyVFASXXVLGLIHQQ-UHFFFAOYSA-N
XLogP3.53
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 65695
N-(4-cyano-1-phenyl-1H-pyrazol-5-yl)-2-(diethylamino)acetamide
CID 2816486
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CID 118711149
N-{2-Methyl-4-[(1-methyl-4,10-dihydropyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]benzyl}pyrrolidine-1-carboxamide
CID 135916060
1,1-Dimethyl-3-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]urea
CID 135916061
2-Benzyl-7-fluoro-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-2,3,4,9-tetraaza-benzo[f]azulene
CID 136026490
N,N-dimethyl-2-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methylcarbamoylamino]acetamide
CID 145970269
(2S)-2-N,2-N-dimethyl-1-N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide
CID 145972114
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyltriazol-1-yl)acetamide
CID 155521493
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-phenyltriazol-1-yl)acetamide
CID 155526355
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(3-phenylpyrazol-1-yl)acetamide
CID 155550114
N,N-diethyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide
CID 162651503

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide (CID 162649131) is N-benzyl-N-ethyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide is CCN(Cc1ccccc1)C(=O)CN1Cc2cnn(C)c2Nc2ccccc21.
What is the InChIKey of N-benzyl-N-ethyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide?
The InChIKey is VFASXXVLGLIHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-3-26(14-17-9-5-4-6-10-17)21(28)16-27-15-18-13-23-25(2)22(18)24-19-11-7-8-12-20(19)27/h4-13,24H,3,14-16H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide?
N-benzyl-N-ethyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide has a molecular weight of 375.48 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)acetamide is sourced from PubChem (CID 162649131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).