3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide

C15H19N3O2 — CID 37393677

IUPAC3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCOCc1cccc(C(=O)NCCCn2cccn2)c1
InChIInChI=1S/C15H19N3O2/c1-20-12-13-5-2-6-14(11-13)15(19)16-7-3-9-18-10-4-8-17-18/h2,4-6,8,10-11H,3,7,9,12H2,1H3,(H,16,19)
InChIKeyRBSQANCMMQMRHG-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.85
Rot. Bonds7

About 3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide

3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide (PubChem CID 37393677) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide
PubChem CID37393677
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCOCc1cccc(C(=O)NCCCn2cccn2)c1
InChIInChI=1S/C15H19N3O2/c1-20-12-13-5-2-6-14(11-13)15(19)16-7-3-9-18-10-4-8-17-18/h2,4-6,8,10-11H,3,7,9,12H2,1H3,(H,16,19)
InChIKeyRBSQANCMMQMRHG-UHFFFAOYSA-N
XLogP1.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.85
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-[(4-bromophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332260
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
3-(methoxymethyl)-N-propylbenzamide
CID 60667721
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951124
3-(methoxymethyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39540479
3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393720
3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394118
N-[3-(benzimidazol-1-yl)propyl]-3-(methoxymethyl)benzamide
CID 51222006
N-[2-(dimethylamino)ethyl]-3-[[[N'-methyl-N-(3-pyrazol-1-ylpropyl)carbamimidoyl]amino]methyl]benzamide
CID 111904209
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
4-[(2,6-dimethylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332359

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of 3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide (CID 37393677) is 3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for 3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for 3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide is COCc1cccc(C(=O)NCCCn2cccn2)c1.
What is the InChIKey of 3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide?
The InChIKey is RBSQANCMMQMRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-12-13-5-2-6-14(11-13)15(19)16-7-3-9-18-10-4-8-17-18/h2,4-6,8,10-11H,3,7,9,12H2,1H3,(H,16,19).
What are the key properties of 3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide?
3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide has a molecular weight of 273.34 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 37393677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).