N-(2-phenyl-1-thiophen-2-ylethyl)-4-(pyrazol-1-ylmethyl)benzamide

C23H21N3OS — CID 86963245

IUPACN-(2-phenyl-1-thiophen-2-ylethyl)-4-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NC(Cc1ccccc1)c1cccs1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C23H21N3OS/c27-23(20-11-9-19(10-12-20)17-26-14-5-13-24-26)25-21(22-8-4-15-28-22)16-18-6-2-1-3-7-18/h1-15,21H,16-17H2,(H,25,27)
InChIKeyUIDGWPGNLFBQFU-UHFFFAOYSA-N
MW387.51 g/mol
LogP4.71
Rot. Bonds7

About N-(2-phenyl-1-thiophen-2-ylethyl)-4-(pyrazol-1-ylmethyl)benzamide

N-(2-phenyl-1-thiophen-2-ylethyl)-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 86963245) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is N-(2-phenyl-1-thiophen-2-ylethyl)-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-phenyl-1-thiophen-2-ylethyl)-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID86963245
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC NameN-(2-phenyl-1-thiophen-2-ylethyl)-4-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NC(Cc1ccccc1)c1cccs1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C23H21N3OS/c27-23(20-11-9-19(10-12-20)17-26-14-5-13-24-26)25-21(22-8-4-15-28-22)16-18-6-2-1-3-7-18/h1-15,21H,16-17H2,(H,25,27)
InChIKeyUIDGWPGNLFBQFU-UHFFFAOYSA-N
XLogP4.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxo-3-phenyl-1-[4-(pyrazol-1-ylmethyl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 55970055
N-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 110001285
N-(1-phenylbut-3-ynyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 71908993
3-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]butanoic acid
CID 119220723
N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 47254879
N-(1,1-diphenylpropan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 46432019
N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 46688121
N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 95297781
4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide
CID 175249041
N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18136496
4-(pyrazol-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 18136267
4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18136251

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-1-thiophen-2-ylethyl)-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-(2-phenyl-1-thiophen-2-ylethyl)-4-(pyrazol-1-ylmethyl)benzamide (CID 86963245) is N-(2-phenyl-1-thiophen-2-ylethyl)-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2-phenyl-1-thiophen-2-ylethyl)-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(2-phenyl-1-thiophen-2-ylethyl)-4-(pyrazol-1-ylmethyl)benzamide is O=C(NC(Cc1ccccc1)c1cccs1)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-(2-phenyl-1-thiophen-2-ylethyl)-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is UIDGWPGNLFBQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS/c27-23(20-11-9-19(10-12-20)17-26-14-5-13-24-26)25-21(22-8-4-15-28-22)16-18-6-2-1-3-7-18/h1-15,21H,16-17H2,(H,25,27).
What are the key properties of N-(2-phenyl-1-thiophen-2-ylethyl)-4-(pyrazol-1-ylmethyl)benzamide?
N-(2-phenyl-1-thiophen-2-ylethyl)-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 387.51 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-1-thiophen-2-ylethyl)-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 86963245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).