N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide

C15H19N3O3 — CID 19571806

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCc1cnn(C)c1C
InChIInChI=1S/C15H19N3O3/c1-10-11(9-17-18(10)2)8-16-15(19)14-12(20-3)6-5-7-13(14)21-4/h5-7,9H,8H2,1-4H3,(H,16,19)
InChIKeyUVVWLJFBLJMFBM-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.68
Rot. Bonds5

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide (PubChem CID 19571806) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide
PubChem CID19571806
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCc1cnn(C)c1C
InChIInChI=1S/C15H19N3O3/c1-10-11(9-17-18(10)2)8-16-15(19)14-12(20-3)6-5-7-13(14)21-4/h5-7,9H,8H2,1-4H3,(H,16,19)
InChIKeyUVVWLJFBLJMFBM-UHFFFAOYSA-N
XLogP1.68
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide
CID 106032662
2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzamide
CID 103861008
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 19282116
1-(2,3-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 19623107
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 106032732
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113341286
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide
CID 103860981
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,3-dimethoxybenzamide
CID 35762282
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 106047246
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea
CID 75523319
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 106032760
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide
CID 106049267

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide (CID 19571806) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCc1cnn(C)c1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide?
The InChIKey is UVVWLJFBLJMFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-11(9-17-18(10)2)8-16-15(19)14-12(20-3)6-5-7-13(14)21-4/h5-7,9H,8H2,1-4H3,(H,16,19).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide has a molecular weight of 289.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 19571806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).