3-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide

C17H19N5O2 — CID 122246749

IUPAC3-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
SMILESO=C(NCCOCCn1cccn1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C17H19N5O2/c23-17(18-8-12-24-13-11-21-9-2-6-19-21)15-4-1-5-16(14-15)22-10-3-7-20-22/h1-7,9-10,14H,8,11-13H2,(H,18,23)
InChIKeyZGYFPNUTKPCLAY-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.52
Rot. Bonds8

About 3-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide

3-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide (PubChem CID 122246749) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
PubChem CID122246749
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
SMILESO=C(NCCOCCn1cccn1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C17H19N5O2/c23-17(18-8-12-24-13-11-21-9-2-6-19-21)15-4-1-5-16(14-15)22-10-3-7-20-22/h1-7,9-10,14H,8,11-13H2,(H,18,23)
InChIKeyZGYFPNUTKPCLAY-UHFFFAOYSA-N
XLogP1.52
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.52
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-cyano-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246704
3-(4-fluorophenoxy)-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246724
N-[2-(2-pyrazol-1-ylethoxy)ethyl]naphthalene-1-carboxamide
CID 122246734
N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70772428
3-pyrazol-1-yl-N-(3-pyridin-3-yloxypropyl)benzamide
CID 70748016
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 110698153
N-[2-(2-pyrazol-1-ylethoxy)ethyl]furan-2-carboxamide
CID 122246699
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyrazol-1-ylbenzamide
CID 97214308
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-pyrazol-1-ylbenzamide
CID 122246324
2-methoxy-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246707
N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-3-pyrazol-1-ylbenzamide
CID 121018531

Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide?
The IUPAC name of 3-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide (CID 122246749) is 3-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide.
What is the SMILES notation for 3-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide?
The canonical SMILES for 3-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide is O=C(NCCOCCn1cccn1)c1cccc(-n2cccn2)c1.
What is the InChIKey of 3-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide?
The InChIKey is ZGYFPNUTKPCLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c23-17(18-8-12-24-13-11-21-9-2-6-19-21)15-4-1-5-16(14-15)22-10-3-7-20-22/h1-7,9-10,14H,8,11-13H2,(H,18,23).
What are the key properties of 3-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide?
3-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide has a molecular weight of 325.37 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide is sourced from PubChem (CID 122246749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).