2-amino-4,5-dimethoxy-N-(1H-pyrazol-4-ylmethyl)benzamide

C13H16N4O3 — CID 61139995

IUPAC2-amino-4,5-dimethoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCOc1cc(N)c(C(=O)NCc2cn[nH]c2)cc1OC
InChIInChI=1S/C13H16N4O3/c1-19-11-3-9(10(14)4-12(11)20-2)13(18)15-5-8-6-16-17-7-8/h3-4,6-7H,5,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyMNYGPFVKIRWECO-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.94
Rot. Bonds5

About 2-amino-4,5-dimethoxy-N-(1H-pyrazol-4-ylmethyl)benzamide

2-amino-4,5-dimethoxy-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 61139995) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-amino-4,5-dimethoxy-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-4,5-dimethoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID61139995
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-amino-4,5-dimethoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCOc1cc(N)c(C(=O)NCc2cn[nH]c2)cc1OC
InChIInChI=1S/C13H16N4O3/c1-19-11-3-9(10(14)4-12(11)20-2)13(18)15-5-8-6-16-17-7-8/h3-4,6-7H,5,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyMNYGPFVKIRWECO-UHFFFAOYSA-N
XLogP0.94
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-4,5-dimethoxy-N-(1H-pyrazol-4-ylmethyl)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-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61139806
2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54904588
2-amino-4,5-dimethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 61118251
3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61138669
3-bromo-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60735936
2-amino-5-bromo-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide
CID 55042012
2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736201
3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61140950
4-amino-3,5-difluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63185938
2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61375925
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 62511186
2-amino-3-chloro-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 107200381

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethoxy-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 2-amino-4,5-dimethoxy-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 61139995) is 2-amino-4,5-dimethoxy-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-4,5-dimethoxy-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 2-amino-4,5-dimethoxy-N-(1H-pyrazol-4-ylmethyl)benzamide is COc1cc(N)c(C(=O)NCc2cn[nH]c2)cc1OC.
What is the InChIKey of 2-amino-4,5-dimethoxy-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is MNYGPFVKIRWECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-19-11-3-9(10(14)4-12(11)20-2)13(18)15-5-8-6-16-17-7-8/h3-4,6-7H,5,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-amino-4,5-dimethoxy-N-(1H-pyrazol-4-ylmethyl)benzamide?
2-amino-4,5-dimethoxy-N-(1H-pyrazol-4-ylmethyl)benzamide has a molecular weight of 276.30 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethoxy-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 61139995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).