5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide

C14H18N4O2 — CID 106032662

IUPAC5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)NCc1cnn(C)c1C
InChIInChI=1S/C14H18N4O2/c1-9-10(8-17-18(9)2)7-16-14(19)12-6-11(15)4-5-13(12)20-3/h4-6,8H,7,15H2,1-3H3,(H,16,19)
InChIKeyCARXLZOPSXCKPA-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.25
Rot. Bonds4

About 5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide

5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide (PubChem CID 106032662) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide
PubChem CID106032662
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)NCc1cnn(C)c1C
InChIInChI=1S/C14H18N4O2/c1-9-10(8-17-18(9)2)7-16-14(19)12-6-11(15)4-5-13(12)20-3/h4-6,8H,7,15H2,1-3H3,(H,16,19)
InChIKeyCARXLZOPSXCKPA-UHFFFAOYSA-N
XLogP1.25
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 63304703
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide
CID 19571806
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide
CID 103860981
5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide
CID 106032747
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 106032732
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-hydroxybenzamide
CID 104930006
N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 51305032
5-amino-2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004068
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoropyridine-3-carboxamide
CID 106049941
5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide
CID 106368719
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 106047246
5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide
CID 61139839

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide?
The IUPAC name of 5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide (CID 106032662) is 5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide?
The canonical SMILES for 5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide is COc1ccc(N)cc1C(=O)NCc1cnn(C)c1C.
What is the InChIKey of 5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide?
The InChIKey is CARXLZOPSXCKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-10(8-17-18(9)2)7-16-14(19)12-6-11(15)4-5-13(12)20-3/h4-6,8H,7,15H2,1-3H3,(H,16,19).
What are the key properties of 5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide?
5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide has a molecular weight of 274.32 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 106032662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).