3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide

C16H21N3O4 — CID 37394118

IUPAC3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCOc1cc(C(=O)NCCCn2cccn2)cc(OC)c1OC
InChIInChI=1S/C16H21N3O4/c1-21-13-10-12(11-14(22-2)15(13)23-3)16(20)17-6-4-8-19-9-5-7-18-19/h5,7,9-11H,4,6,8H2,1-3H3,(H,17,20)
InChIKeyPUQWBSIPAPGBGD-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.73
Rot. Bonds8

About 3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide

3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide (PubChem CID 37394118) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide
PubChem CID37394118
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCOc1cc(C(=O)NCCCn2cccn2)cc(OC)c1OC
InChIInChI=1S/C16H21N3O4/c1-21-13-10-12(11-14(22-2)15(13)23-3)16(20)17-6-4-8-19-9-5-7-18-19/h5,7,9-11H,4,6,8H2,1-3H3,(H,17,20)
InChIKeyPUQWBSIPAPGBGD-UHFFFAOYSA-N
XLogP1.73
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N-[(2R)-1-oxo-1-(3-pyrazol-1-ylpropylamino)propan-2-yl]benzamide
CID 37394425
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37392929
3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393720
3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556292
3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 56852480
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393677
2-methyl-1-(3-pyrazol-1-ylpropyl)-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111377187
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide
CID 108926572
2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 35525598

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide (CID 37394118) is 3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide is COc1cc(C(=O)NCCCn2cccn2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide?
The InChIKey is PUQWBSIPAPGBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-21-13-10-12(11-14(22-2)15(13)23-3)16(20)17-6-4-8-19-9-5-7-18-19/h5,7,9-11H,4,6,8H2,1-3H3,(H,17,20).
What are the key properties of 3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide?
3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide has a molecular weight of 319.36 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 37394118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).