3-amino-N-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide

C15H21N5O — CID 82992380

IUPAC3-amino-N-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(NCc2c(C)nn(C)c2C)c(N)c1
InChIInChI=1S/C15H21N5O/c1-9-12(10(2)20(4)19-9)8-18-14-6-5-11(7-13(14)16)15(21)17-3/h5-7,18H,8,16H2,1-4H3,(H,17,21)
InChIKeyYJWBJQSSXPFOEA-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.59
Rot. Bonds4

About 3-amino-N-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide

3-amino-N-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide (PubChem CID 82992380) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-amino-N-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
PubChem CID82992380
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-amino-N-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(NCc2c(C)nn(C)c2C)c(N)c1
InChIInChI=1S/C15H21N5O/c1-9-12(10(2)20(4)19-9)8-18-14-6-5-11(7-13(14)16)15(21)17-3/h5-7,18H,8,16H2,1-4H3,(H,17,21)
InChIKeyYJWBJQSSXPFOEA-UHFFFAOYSA-N
XLogP1.59
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbenzamide
CID 115989165
3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzamide
CID 106369913
3-amino-N-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
CID 82989349
methyl 5-amino-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoate
CID 79231109
4-amino-3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 104783069
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
CID 28614415
3-amino-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231481
3-amino-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzamide
CID 106392912
2-amino-4-fluoro-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
CID 79231107
3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide
CID 82988834
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methylbenzamide
CID 82999428
3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 82988789

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide?
The IUPAC name of 3-amino-N-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide (CID 82992380) is 3-amino-N-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide.
What is the SMILES notation for 3-amino-N-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide?
The canonical SMILES for 3-amino-N-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide is CNC(=O)c1ccc(NCc2c(C)nn(C)c2C)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide?
The InChIKey is YJWBJQSSXPFOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-9-12(10(2)20(4)19-9)8-18-14-6-5-11(7-13(14)16)15(21)17-3/h5-7,18H,8,16H2,1-4H3,(H,17,21).
What are the key properties of 3-amino-N-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide?
3-amino-N-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide has a molecular weight of 287.37 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 82992380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).