3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzamide

C14H18N4O — CID 102978759

IUPAC3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cnn(C)c2C)cc1N
InChIInChI=1S/C14H18N4O/c1-9-4-5-11(6-13(9)15)14(19)16-7-12-8-17-18(3)10(12)2/h4-6,8H,7,15H2,1-3H3,(H,16,19)
InChIKeyBSHAJSKJHJNMJT-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.55
Rot. Bonds3

About 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzamide

3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzamide (PubChem CID 102978759) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzamide
PubChem CID102978759
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cnn(C)c2C)cc1N
InChIInChI=1S/C14H18N4O/c1-9-4-5-11(6-13(9)15)14(19)16-7-12-8-17-18(3)10(12)2/h4-6,8H,7,15H2,1-3H3,(H,16,19)
InChIKeyBSHAJSKJHJNMJT-UHFFFAOYSA-N
XLogP1.55
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.55
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-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 106032758
3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-ethylbenzamide
CID 106035548
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106041082
6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 103861052
3-amino-4-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954315
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 75434360
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 106032732
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 106032760
3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide
CID 114139144
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-hydrazinylbenzamide
CID 106040107
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide
CID 79523593
3-amino-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 54904691

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzamide?
The IUPAC name of 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzamide (CID 102978759) is 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzamide?
The canonical SMILES for 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCc2cnn(C)c2C)cc1N.
What is the InChIKey of 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzamide?
The InChIKey is BSHAJSKJHJNMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-4-5-11(6-13(9)15)14(19)16-7-12-8-17-18(3)10(12)2/h4-6,8H,7,15H2,1-3H3,(H,16,19).
What are the key properties of 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzamide?
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzamide has a molecular weight of 258.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzamide is sourced from PubChem (CID 102978759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).