N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide

C16H21N3O2 — CID 70772428

IUPACN-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide
SMILESCCCOCCNC(=O)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C16H21N3O2/c1-2-10-21-11-8-17-16(20)15-6-3-5-14(12-15)13-19-9-4-7-18-19/h3-7,9,12H,2,8,10-11,13H2,1H3,(H,17,20)
InChIKeyTUYJSFWFVWHNPH-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.09
Rot. Bonds8

About N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide

N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 70772428) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID70772428
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide
SMILESCCCOCCNC(=O)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C16H21N3O2/c1-2-10-21-11-8-17-16(20)15-6-3-5-14(12-15)13-19-9-4-7-18-19/h3-7,9,12H,2,8,10-11,13H2,1H3,(H,17,20)
InChIKeyTUYJSFWFVWHNPH-UHFFFAOYSA-N
XLogP2.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.09
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

N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 35764030
3-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246749
3-cyano-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246704
N'-[1-(4-methoxyphenyl)ethenyl]-3-(pyrazol-1-ylmethyl)benzohydrazide
CID 3667212
1-methyl-N-propyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-5-carboxamide
CID 19396361
3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393677
N-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50956025
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951124
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 56909821
N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50953115
3-(propylsulfonylamino)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954530
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 70742800

Frequently Asked Questions

What is the IUPAC name of N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide (CID 70772428) is N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide is CCCOCCNC(=O)c1cccc(Cn2cccn2)c1.
What is the InChIKey of N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is TUYJSFWFVWHNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-10-21-11-8-17-16(20)15-6-3-5-14(12-15)13-19-9-4-7-18-19/h3-7,9,12H,2,8,10-11,13H2,1H3,(H,17,20).
What are the key properties of N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide?
N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 287.36 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 70772428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).