3-methoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide

C15H19N3O2 — CID 19297962

IUPAC3-methoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
SMILESCOc1cccc(C(=O)NCCCn2ccc(C)n2)c1
InChIInChI=1S/C15H19N3O2/c1-12-7-10-18(17-12)9-4-8-16-15(19)13-5-3-6-14(11-13)20-2/h3,5-7,10-11H,4,8-9H2,1-2H3,(H,16,19)
InChIKeyPODCJRFXKOOYMC-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.02
Rot. Bonds6

About 3-methoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide

3-methoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide (PubChem CID 19297962) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-methoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
PubChem CID19297962
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-methoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
SMILESCOc1cccc(C(=O)NCCCn2ccc(C)n2)c1
InChIInChI=1S/C15H19N3O2/c1-12-7-10-18(17-12)9-4-8-16-15(19)13-5-3-6-14(11-13)20-2/h3,5-7,10-11H,4,8-9H2,1-2H3,(H,16,19)
InChIKeyPODCJRFXKOOYMC-UHFFFAOYSA-N
XLogP2.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3,4-diethoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19297941
3-[(2-bromophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323719
1-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide
CID 19323686
3-[(2,4-dimethylphenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323834
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide
CID 19292722
4-(difluoromethoxy)-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323728
3-[(2,4-difluorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323819
N-(6-bromohexyl)-3-methoxybenzamide
CID 114008510
3-methoxy-N-tridecylbenzamide
CID 139819898
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide (CID 19297962) is 3-methoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide is COc1cccc(C(=O)NCCCn2ccc(C)n2)c1.
What is the InChIKey of 3-methoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide?
The InChIKey is PODCJRFXKOOYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-12-7-10-18(17-12)9-4-8-16-15(19)13-5-3-6-14(11-13)20-2/h3,5-7,10-11H,4,8-9H2,1-2H3,(H,16,19).
What are the key properties of 3-methoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide?
3-methoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide has a molecular weight of 273.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide is sourced from PubChem (CID 19297962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).