3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C13H17N5O — CID 61139345

IUPAC3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C13H17N5O/c1-17(7-9-6-16-18(2)8-9)13(19)10-3-11(14)5-12(15)4-10/h3-6,8H,7,14-15H2,1-2H3
InChIKeyYHSZRTMCHROVDM-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.86
Rot. Bonds3

About 3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 61139345) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID61139345
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C13H17N5O/c1-17(7-9-6-16-18(2)8-9)13(19)10-3-11(14)5-12(15)4-10/h3-6,8H,7,14-15H2,1-2H3
InChIKeyYHSZRTMCHROVDM-UHFFFAOYSA-N
XLogP0.86
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide 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

3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31843005
4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905633
5-amino-2,3-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 107184567
3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905632
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
5-amino-2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61114879
4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 61114885
N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 86908026
2-amino-4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63110187
3,5-diamino-N-benzyl-N-methylbenzamide
CID 61092300
2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 62789282
N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-carboxamide
CID 39969648

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 61139345) is 3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is CN(Cc1cnn(C)c1)C(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is YHSZRTMCHROVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-17(7-9-6-16-18(2)8-9)13(19)10-3-11(14)5-12(15)4-10/h3-6,8H,7,14-15H2,1-2H3.
What are the key properties of 3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 259.31 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 61139345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).