3-amino-N-[(2-methylpyrazol-3-yl)methyl]benzamide

C12H14N4O — CID 63304139

IUPAC3-amino-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1nccc1CNC(=O)c1cccc(N)c1
InChIInChI=1S/C12H14N4O/c1-16-11(5-6-15-16)8-14-12(17)9-3-2-4-10(13)7-9/h2-7H,8,13H2,1H3,(H,14,17)
InChIKeyKETIYVAPUKARKS-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.93
Rot. Bonds3

About 3-amino-N-[(2-methylpyrazol-3-yl)methyl]benzamide

3-amino-N-[(2-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 63304139) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-amino-N-[(2-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[(2-methylpyrazol-3-yl)methyl]benzamide
PubChem CID63304139
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3-amino-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1nccc1CNC(=O)c1cccc(N)c1
InChIInChI=1S/C12H14N4O/c1-16-11(5-6-15-16)8-14-12(17)9-3-2-4-10(13)7-9/h2-7H,8,13H2,1H3,(H,14,17)
InChIKeyKETIYVAPUKARKS-UHFFFAOYSA-N
XLogP0.93
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-dichloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 82794631
4-amino-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 55205164
4-amino-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
CID 63304317
3,4,5-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 55167887
5-amino-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 63304703
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19292552
3-methyl-4-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 63303526
2-(4-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63304660
3-amino-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106413441
3-bromo-5-chloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 103826536
3,4,5-trimethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 30899209
3-[(2,4-dimethylphenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19292623

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 3-amino-N-[(2-methylpyrazol-3-yl)methyl]benzamide (CID 63304139) is 3-amino-N-[(2-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-amino-N-[(2-methylpyrazol-3-yl)methyl]benzamide is Cn1nccc1CNC(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is KETIYVAPUKARKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-16-11(5-6-15-16)8-14-12(17)9-3-2-4-10(13)7-9/h2-7H,8,13H2,1H3,(H,14,17).
What are the key properties of 3-amino-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
3-amino-N-[(2-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 230.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 63304139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).