3,4-dimethoxy-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide

C16H21N3O3 — CID 19327875

IUPAC3,4-dimethoxy-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCn2nccc2C)cc1OC
InChIInChI=1S/C16H21N3O3/c1-12-7-9-18-19(12)10-4-8-17-16(20)13-5-6-14(21-2)15(11-13)22-3/h5-7,9,11H,4,8,10H2,1-3H3,(H,17,20)
InChIKeyRODZVQZQBWLLBY-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.03
Rot. Bonds7

About 3,4-dimethoxy-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide

3,4-dimethoxy-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide (PubChem CID 19327875) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
PubChem CID19327875
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3,4-dimethoxy-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCn2nccc2C)cc1OC
InChIInChI=1S/C16H21N3O3/c1-12-7-9-18-19(12)10-4-8-17-16(20)13-5-6-14(21-2)15(11-13)22-3/h5-7,9,11H,4,8,10H2,1-3H3,(H,17,20)
InChIKeyRODZVQZQBWLLBY-UHFFFAOYSA-N
XLogP2.03
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-3,4-dimethoxybenzamide
CID 19294681
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
3-[(4-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327758
3-[(4-ethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327775
3-[(3-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327741
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
3,4-dimethoxy-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716250
ethyl 1-methyl-3-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylate
CID 19267156
3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393720
N-(4-chloropentyl)-3,4-dimethoxybenzamide
CID 106129860
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
N-(4-aminopentyl)-3,4-dimethoxybenzamide
CID 106122930

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide (CID 19327875) is 3,4-dimethoxy-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide is COc1ccc(C(=O)NCCCn2nccc2C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide?
The InChIKey is RODZVQZQBWLLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-12-7-9-18-19(12)10-4-8-17-16(20)13-5-6-14(21-2)15(11-13)22-3/h5-7,9,11H,4,8,10H2,1-3H3,(H,17,20).
What are the key properties of 3,4-dimethoxy-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide?
3,4-dimethoxy-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide has a molecular weight of 303.36 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide is sourced from PubChem (CID 19327875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).