N-(1-benzylpyrazol-3-yl)-2-(4-methoxyphenyl)acetamide

C19H19N3O2 — CID 6461757

IUPACN-(1-benzylpyrazol-3-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccn(Cc3ccccc3)n2)cc1
InChIInChI=1S/C19H19N3O2/c1-24-17-9-7-15(8-10-17)13-19(23)20-18-11-12-22(21-18)14-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,20,21,23)
InChIKeyIHNBTKKPNYEOEY-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.12
Rot. Bonds6

About N-(1-benzylpyrazol-3-yl)-2-(4-methoxyphenyl)acetamide

N-(1-benzylpyrazol-3-yl)-2-(4-methoxyphenyl)acetamide (PubChem CID 6461757) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)-2-(4-methoxyphenyl)acetamide
PubChem CID6461757
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(1-benzylpyrazol-3-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccn(Cc3ccccc3)n2)cc1
InChIInChI=1S/C19H19N3O2/c1-24-17-9-7-15(8-10-17)13-19(23)20-18-11-12-22(21-18)14-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,20,21,23)
InChIKeyIHNBTKKPNYEOEY-UHFFFAOYSA-N
XLogP3.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560290
2-[4-(dimethylamino)phenyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-yl]acetamide
CID 118560399
N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 57878392
3-[2-(2-methoxyphenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67305655
3-[2-(4-fluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67305810
3-[2-(2,4-difluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67306982
3-[2-(2-fluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67307127
3-[(E)-2-(2-fluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540510
3-[(E)-2-(4-fluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540511
3-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540610
3-[(E)-2-(2,5-difluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540611
3-[(E)-2-(2,6-difluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540612

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)-2-(4-methoxyphenyl)acetamide (CID 6461757) is N-(1-benzylpyrazol-3-yl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccn(Cc3ccccc3)n2)cc1.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is IHNBTKKPNYEOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-17-9-7-15(8-10-17)13-19(23)20-18-11-12-22(21-18)14-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,20,21,23).
What are the key properties of N-(1-benzylpyrazol-3-yl)-2-(4-methoxyphenyl)acetamide?
N-(1-benzylpyrazol-3-yl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-3-yl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 6461757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).