3-amino-4-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbenzamide

C14H19N5O — CID 115989165

IUPAC3-amino-4-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCc2cn(C)nc2C)c(N)c1
InChIInChI=1S/C14H19N5O/c1-9-11(8-19(3)18-9)7-17-13-5-4-10(6-12(13)15)14(20)16-2/h4-6,8,17H,7,15H2,1-3H3,(H,16,20)
InChIKeyLFDNRVZBXDIEKL-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.28
Rot. Bonds4

About 3-amino-4-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbenzamide

3-amino-4-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbenzamide (PubChem CID 115989165) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-amino-4-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbenzamide
PubChem CID115989165
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-amino-4-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCc2cn(C)nc2C)c(N)c1
InChIInChI=1S/C14H19N5O/c1-9-11(8-19(3)18-9)7-17-13-5-4-10(6-12(13)15)14(20)16-2/h4-6,8,17H,7,15H2,1-3H3,(H,16,20)
InChIKeyLFDNRVZBXDIEKL-UHFFFAOYSA-N
XLogP1.28
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.28
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-N-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
CID 82992380
3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzamide
CID 106369913
3-chloro-4-[(1,3-dimethylpyrazol-4-yl)methylamino]benzenecarbothioamide
CID 112669866
3-amino-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231481
5-amino-6-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylic acid
CID 112671919
3-amino-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzamide
CID 106392912
3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide
CID 82988834
5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]benzonitrile
CID 112668289
3-amino-N-methyl-4-(pyridin-2-ylmethylamino)benzamide
CID 82989252
3-amino-N-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
CID 82989349
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methylbenzamide
CID 82999428
3-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-ethylthiophene-2-carboxamide
CID 103506198

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbenzamide?
The IUPAC name of 3-amino-4-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbenzamide (CID 115989165) is 3-amino-4-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbenzamide is CNC(=O)c1ccc(NCc2cn(C)nc2C)c(N)c1.
What is the InChIKey of 3-amino-4-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbenzamide?
The InChIKey is LFDNRVZBXDIEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-11(8-19(3)18-9)7-17-13-5-4-10(6-12(13)15)14(20)16-2/h4-6,8,17H,7,15H2,1-3H3,(H,16,20).
What are the key properties of 3-amino-4-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbenzamide?
3-amino-4-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbenzamide has a molecular weight of 273.34 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 115989165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).