N-benzyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide

C17H21N5O — CID 91960269

IUPACN-benzyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide
SMILESCc1nn(C)c2cnn(CCC(=O)N(C)Cc3ccccc3)c12
InChIInChI=1S/C17H21N5O/c1-13-17-15(21(3)19-13)11-18-22(17)10-9-16(23)20(2)12-14-7-5-4-6-8-14/h4-8,11H,9-10,12H2,1-3H3
InChIKeyBVTGQFNFZXFGAE-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.13
Rot. Bonds5

About N-benzyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide

N-benzyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide (PubChem CID 91960269) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-benzyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide
PubChem CID91960269
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-benzyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide
SMILESCc1nn(C)c2cnn(CCC(=O)N(C)Cc3ccccc3)c12
InChIInChI=1S/C17H21N5O/c1-13-17-15(21(3)19-13)11-18-22(17)10-9-16(23)20(2)12-14-7-5-4-6-8-14/h4-8,11H,9-10,12H2,1-3H3
InChIKeyBVTGQFNFZXFGAE-UHFFFAOYSA-N
XLogP2.13
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide
CID 91960421
N-(furan-2-ylmethyl)-N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
CID 91960466
N-[(5-bromofuran-2-yl)methyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide
CID 91960349
N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 91960467
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 91960246
3-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]benzamide
CID 55920417
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 91960239
N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26004666
N,N-diethyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
CID 91960532
N-cyclododecyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
CID 91960258
N-methoxy-N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
CID 91960632
N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide
CID 112513798

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide?
The IUPAC name of N-benzyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide (CID 91960269) is N-benzyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide is Cc1nn(C)c2cnn(CCC(=O)N(C)Cc3ccccc3)c12.
What is the InChIKey of N-benzyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide?
The InChIKey is BVTGQFNFZXFGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-13-17-15(21(3)19-13)11-18-22(17)10-9-16(23)20(2)12-14-7-5-4-6-8-14/h4-8,11H,9-10,12H2,1-3H3.
What are the key properties of N-benzyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide?
N-benzyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide has a molecular weight of 311.39 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide is sourced from PubChem (CID 91960269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).