N-(1-benzylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide

C20H21N3O3 — CID 141484732

IUPACN-(1-benzylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cnn(Cc3ccccc3)c2)cc1OC
InChIInChI=1S/C20H21N3O3/c1-25-18-9-8-16(10-19(18)26-2)11-20(24)22-17-12-21-23(14-17)13-15-6-4-3-5-7-15/h3-10,12,14H,11,13H2,1-2H3,(H,22,24)
InChIKeyZTEHEYBKTIPAJQ-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.13
Rot. Bonds7

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

N-(1-benzylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 141484732) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID141484732
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(1-benzylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cnn(Cc3ccccc3)c2)cc1OC
InChIInChI=1S/C20H21N3O3/c1-25-18-9-8-16(10-19(18)26-2)11-20(24)22-17-12-21-23(14-17)13-15-6-4-3-5-7-15/h3-10,12,14H,11,13H2,1-2H3,(H,22,24)
InChIKeyZTEHEYBKTIPAJQ-UHFFFAOYSA-N
XLogP3.13
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzyl-1H-pyrazol-4-yl)-3-ethoxybenzamide
CID 1223790
N-[1-(4-chlorobenzyl)-1H-pyrazol-4-yl]-3,4-dimethoxybenzamide
CID 4407764
2-(3,4-dimethoxyphenyl)-N-[4-(1H-pyrrol-1-yl)benzyl]acetamide
CID 5300696
2-(3,4-dimethoxyphenyl)-N-[1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 141484719
2-(3,4-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide
CID 141484722
2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-4-yl)acetamide
CID 141484724
2-(3,4-dimethoxyphenyl)-N-[1-(3-methoxyphenyl)pyrazol-4-yl]acetamide
CID 141484733
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzamide
CID 1244331
1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 2489963
2-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methyl]acetamide
CID 2738922
N-{4-[5-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}-4-methoxybenzamide
CID 4302061
3-(3,4-Dimethoxy-phenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid amide
CID 882758

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide (CID 141484732) is N-(1-benzylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2cnn(Cc3ccccc3)c2)cc1OC.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is ZTEHEYBKTIPAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-25-18-9-8-16(10-19(18)26-2)11-20(24)22-17-12-21-23(14-17)13-15-6-4-3-5-7-15/h3-10,12,14H,11,13H2,1-2H3,(H,22,24).
What are the key properties of N-(1-benzylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide?
N-(1-benzylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 351.41 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 141484732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).