3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methoxybenzamide

C14H18N4O2 — CID 79578897

IUPAC3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NCc1cnn(C)c1C
InChIInChI=1S/C14H18N4O2/c1-9-11(8-17-18(9)2)7-16-12-6-10(14(15)19)4-5-13(12)20-3/h4-6,8,16H,7H2,1-3H3,(H2,15,19)
InChIKeyKEEMJZDETASQPH-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.45
Rot. Bonds5

About 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methoxybenzamide

3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methoxybenzamide (PubChem CID 79578897) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methoxybenzamide
PubChem CID79578897
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NCc1cnn(C)c1C
InChIInChI=1S/C14H18N4O2/c1-9-11(8-17-18(9)2)7-16-12-6-10(14(15)19)4-5-13(12)20-3/h4-6,8,16H,7H2,1-3H3,(H2,15,19)
InChIKeyKEEMJZDETASQPH-UHFFFAOYSA-N
XLogP1.45
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide
CID 114139144
methyl 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-methylbenzoate
CID 79578378
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-fluorobenzoic acid
CID 79578895
4-methoxy-3-[(3-propylimidazol-4-yl)methylamino]benzamide
CID 66131346
3-[(2-bromo-5-fluorophenyl)methylamino]-4-methoxybenzamide
CID 103866343
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzamide
CID 79569576
4-methoxy-3-(pyridin-2-ylmethylamino)benzamide
CID 43735349
2-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methoxyphenoxy]ethanol
CID 79568798
5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide
CID 106032662
4-methoxy-3-(prop-2-ynylamino)benzamide
CID 63952284
5-[(5-carbamoyl-2-methoxyanilino)methyl]furan-3-carboxylic acid
CID 104608517
3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-ethylbenzamide
CID 106035548

Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methoxybenzamide?
The IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methoxybenzamide (CID 79578897) is 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methoxybenzamide.
What is the SMILES notation for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methoxybenzamide?
The canonical SMILES for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1NCc1cnn(C)c1C.
What is the InChIKey of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methoxybenzamide?
The InChIKey is KEEMJZDETASQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-11(8-17-18(9)2)7-16-12-6-10(14(15)19)4-5-13(12)20-3/h4-6,8,16H,7H2,1-3H3,(H2,15,19).
What are the key properties of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methoxybenzamide?
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methoxybenzamide has a molecular weight of 274.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methoxybenzamide is sourced from PubChem (CID 79578897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).