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

C18H17N3O — CID 51105926

IUPACN-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1ccn(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C18H17N3O/c22-18(15-7-3-1-4-8-15)19-13-11-16-12-14-21(20-16)17-9-5-2-6-10-17/h1-10,12,14H,11,13H2,(H,19,22)
InChIKeyJZKAKRJWMMHEIZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.84
Rot. Bonds5

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

N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide (PubChem CID 51105926) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
PubChem CID51105926
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1ccn(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C18H17N3O/c22-18(15-7-3-1-4-8-15)19-13-11-16-12-14-21(20-16)17-9-5-2-6-10-17/h1-10,12,14H,11,13H2,(H,19,22)
InChIKeyJZKAKRJWMMHEIZ-UHFFFAOYSA-N
XLogP2.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146122234
3-cyano-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146122229
3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146126708
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
2-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 146128761
3-methyl-5-(methylamino)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-1,2-thiazole-4-carboxamide
CID 51106857
2-(1H-indol-3-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]acetamide
CID 51105936
(3S)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 97213413
2-phenyl-2-[2-(1-phenylpyrazol-3-yl)ethylamino]acetamide
CID 51107455
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 146126737
N-[2-(1-phenylpyrazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120929723

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide?
The IUPAC name of N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide (CID 51105926) is N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide is O=C(NCCc1ccn(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide?
The InChIKey is JZKAKRJWMMHEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c22-18(15-7-3-1-4-8-15)19-13-11-16-12-14-21(20-16)17-9-5-2-6-10-17/h1-10,12,14H,11,13H2,(H,19,22).
What are the key properties of N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide?
N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide has a molecular weight of 291.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 51105926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).