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

C18H25N3O3 — CID 19297941

IUPAC3,4-diethoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
SMILESCCOc1ccc(C(=O)NCCCn2ccc(C)n2)cc1OCC
InChIInChI=1S/C18H25N3O3/c1-4-23-16-8-7-15(13-17(16)24-5-2)18(22)19-10-6-11-21-12-9-14(3)20-21/h7-9,12-13H,4-6,10-11H2,1-3H3,(H,19,22)
InChIKeyPVPDPHZYQBIOJT-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.81
Rot. Bonds9

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

3,4-diethoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide (PubChem CID 19297941) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3,4-diethoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
PubChem CID19297941
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name3,4-diethoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
SMILESCCOc1ccc(C(=O)NCCCn2ccc(C)n2)cc1OCC
InChIInChI=1S/C18H25N3O3/c1-4-23-16-8-7-15(13-17(16)24-5-2)18(22)19-10-6-11-21-12-9-14(3)20-21/h7-9,12-13H,4-6,10-11H2,1-3H3,(H,19,22)
InChIKeyPVPDPHZYQBIOJT-UHFFFAOYSA-N
XLogP2.81
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.81
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

3-methoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19297962
3-[(2,4-dimethylphenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323834
4-[(4-bromo-2-chlorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323813
4-(difluoromethoxy)-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323728
3-[(2-bromophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323719
3-[(2,4-difluorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323819
3,4-diethoxy-N-(5-hydroxypentyl)benzamide
CID 107319057
1-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide
CID 19323686
4-[(4-chlorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323842
3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121042
N-[3-(3-methylpyrazol-1-yl)propyl]butanamide
CID 19323910
N-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide
CID 35291217

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide (CID 19297941) is 3,4-diethoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide is CCOc1ccc(C(=O)NCCCn2ccc(C)n2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide?
The InChIKey is PVPDPHZYQBIOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-4-23-16-8-7-15(13-17(16)24-5-2)18(22)19-10-6-11-21-12-9-14(3)20-21/h7-9,12-13H,4-6,10-11H2,1-3H3,(H,19,22).
What are the key properties of 3,4-diethoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide?
3,4-diethoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide has a molecular weight of 331.42 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide is sourced from PubChem (CID 19297941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).