5-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-methoxybenzamide

C15H17N3O3 — CID 50971170

IUPAC5-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-methoxybenzamide
SMILESCOc1ccc(-n2nc(C)c(C(C)=O)c2C)cc1C(N)=O
InChIInChI=1S/C15H17N3O3/c1-8-14(10(3)19)9(2)18(17-8)11-5-6-13(21-4)12(7-11)15(16)20/h5-7H,1-4H3,(H2,16,20)
InChIKeyHCHFFEURTCKWGT-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.80
Rot. Bonds4

About 5-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-methoxybenzamide

5-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-methoxybenzamide (PubChem CID 50971170) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-methoxybenzamide
PubChem CID50971170
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-methoxybenzamide
SMILESCOc1ccc(-n2nc(C)c(C(C)=O)c2C)cc1C(N)=O
InChIInChI=1S/C15H17N3O3/c1-8-14(10(3)19)9(2)18(17-8)11-5-6-13(21-4)12(7-11)15(16)20/h5-7H,1-4H3,(H2,16,20)
InChIKeyHCHFFEURTCKWGT-UHFFFAOYSA-N
XLogP1.80
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methoxyphenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester
CID 656965
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2-methoxybenzamide
CID 658803
1-(2-ethoxybenzoyl)-3,5-dimethyl-1H-pyrazole
CID 898261
2-methoxy-N-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}benzamide
CID 1509888
1-(2,6-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole
CID 897075
(3,5-Dimethylpyrazol-1-yl)-(2-methoxyphenyl)methanone
CID 754113
3-Methyl-5-(2-methylphenoxy)-1-phenylpyrazole-4-carbaldehyde
CID 20110147
5-[4-(2-hydroxyethyl)-1H-pyrazol-1-yl]-2-methoxybenzamide
CID 50948536
1-{1-[3-(hydroxymethyl)-4-methoxyphenyl]-3,5-dimethyl-1H-pyrazol-4-yl}ethanone
CID 50949952
5-[3,5-Dimethyl-4-(2-oxopropyl)pyrazol-1-yl]-2-ethoxybenzamide
CID 50958630
4-(2-Ethoxybenzamido)-1-methyl-3-propylpyrazole-5-carboxamide
CID 850135
3,4-Diacetyl-1-(4-methoxyphenyl)-5-methylpyrazole
CID 13077733

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-methoxybenzamide?
The IUPAC name of 5-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-methoxybenzamide (CID 50971170) is 5-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-methoxybenzamide.
What is the SMILES notation for 5-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-methoxybenzamide?
The canonical SMILES for 5-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-methoxybenzamide is COc1ccc(-n2nc(C)c(C(C)=O)c2C)cc1C(N)=O.
What is the InChIKey of 5-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-methoxybenzamide?
The InChIKey is HCHFFEURTCKWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-8-14(10(3)19)9(2)18(17-8)11-5-6-13(21-4)12(7-11)15(16)20/h5-7H,1-4H3,(H2,16,20).
What are the key properties of 5-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-methoxybenzamide?
5-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-methoxybenzamide has a molecular weight of 287.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-methoxybenzamide is sourced from PubChem (CID 50971170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).