N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide

C14H17N3O2 — CID 19292722

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2cc(C)nn2C)c1
InChIInChI=1S/C14H17N3O2/c1-10-7-12(17(2)16-10)9-15-14(18)11-5-4-6-13(8-11)19-3/h4-8H,9H2,1-3H3,(H,15,18)
InChIKeyYHMJJSCSAQHYPZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.67
Rot. Bonds4

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide

N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide (PubChem CID 19292722) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide
PubChem CID19292722
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2cc(C)nn2C)c1
InChIInChI=1S/C14H17N3O2/c1-10-7-12(17(2)16-10)9-15-14(18)11-5-4-6-13(8-11)19-3/h4-8H,9H2,1-3H3,(H,15,18)
InChIKeyYHMJJSCSAQHYPZ-UHFFFAOYSA-N
XLogP1.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19294391
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethoxybenzamide
CID 19294375
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide
CID 19294306
3-[(4-chlorophenoxy)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]benzamide
CID 19292732
N-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide
CID 74250263
3-methoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19297962
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 99939569
6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824852
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-nitrobenzamide
CID 19294436
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3-methoxy-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 110785783
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dinitrobenzamide
CID 19292730

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide (CID 19292722) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2cc(C)nn2C)c1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide?
The InChIKey is YHMJJSCSAQHYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-7-12(17(2)16-10)9-15-14(18)11-5-4-6-13(8-11)19-3/h4-8H,9H2,1-3H3,(H,15,18).
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide has a molecular weight of 259.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 19292722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).