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

C15H16N4O2 — CID 122246704

IUPAC3-cyano-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCOCCn2cccn2)c1
InChIInChI=1S/C15H16N4O2/c16-12-13-3-1-4-14(11-13)15(20)17-6-9-21-10-8-19-7-2-5-18-19/h1-5,7,11H,6,8-10H2,(H,17,20)
InChIKeyNWRJQUKGRFDRTL-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.20
Rot. Bonds7

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

3-cyano-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide (PubChem CID 122246704) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-cyano-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
PubChem CID122246704
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-cyano-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCOCCn2cccn2)c1
InChIInChI=1S/C15H16N4O2/c16-12-13-3-1-4-14(11-13)15(20)17-6-9-21-10-8-19-7-2-5-18-19/h1-5,7,11H,6,8-10H2,(H,17,20)
InChIKeyNWRJQUKGRFDRTL-UHFFFAOYSA-N
XLogP1.20
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.20
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-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246749
3-(4-fluorophenoxy)-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246724
3-cyano-N-(2-ethoxyethyl)benzamide
CID 43591437
3-cyano-N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]benzamide
CID 119106214
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70772428
N-[2-(2-pyrazol-1-ylethoxy)ethyl]naphthalene-1-carboxamide
CID 122246734
N-[2-(2-pyrazol-1-ylethoxy)ethyl]furan-2-carboxamide
CID 122246699
3-cyano-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122308613
2-methoxy-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246707
N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide
CID 78993904
3-cyano-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide
CID 19281842

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide?
The IUPAC name of 3-cyano-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide (CID 122246704) is 3-cyano-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide is N#Cc1cccc(C(=O)NCCOCCn2cccn2)c1.
What is the InChIKey of 3-cyano-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide?
The InChIKey is NWRJQUKGRFDRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c16-12-13-3-1-4-14(11-13)15(20)17-6-9-21-10-8-19-7-2-5-18-19/h1-5,7,11H,6,8-10H2,(H,17,20).
What are the key properties of 3-cyano-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide?
3-cyano-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide has a molecular weight of 284.32 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide is sourced from PubChem (CID 122246704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).