3-cyano-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide

C19H16N4O — CID 146122229

IUPAC3-cyano-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCc2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C19H16N4O/c20-14-15-5-4-6-16(13-15)19(24)21-11-9-17-10-12-23(22-17)18-7-2-1-3-8-18/h1-8,10,12-13H,9,11H2,(H,21,24)
InChIKeyDTYCLEMYXJYMGD-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.72
Rot. Bonds5

About 3-cyano-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide

3-cyano-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide (PubChem CID 146122229) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-cyano-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
PubChem CID146122229
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name3-cyano-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCc2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C19H16N4O/c20-14-15-5-4-6-16(13-15)19(24)21-11-9-17-10-12-23(22-17)18-7-2-1-3-8-18/h1-8,10,12-13H,9,11H2,(H,21,24)
InChIKeyDTYCLEMYXJYMGD-UHFFFAOYSA-N
XLogP2.72
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 51105926
3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146122234
3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146126708
3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide
CID 110605229
2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 51132204
4-oxo-4-phenyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide
CID 51105933
N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide
CID 78993904
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 146126737
2-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 146128761
N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide
CID 31251030
3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 90499508

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide?
The IUPAC name of 3-cyano-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide (CID 146122229) is 3-cyano-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide is N#Cc1cccc(C(=O)NCCc2ccn(-c3ccccc3)n2)c1.
What is the InChIKey of 3-cyano-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide?
The InChIKey is DTYCLEMYXJYMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c20-14-15-5-4-6-16(13-15)19(24)21-11-9-17-10-12-23(22-17)18-7-2-1-3-8-18/h1-8,10,12-13H,9,11H2,(H,21,24).
What are the key properties of 3-cyano-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide?
3-cyano-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide has a molecular weight of 316.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 146122229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).