N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide

C15H17N3O3 — CID 658976

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(=O)n2nc(C)cc2C)c1
InChIInChI=1S/C15H17N3O3/c1-10-7-11(2)18(17-10)14(19)9-16-15(20)12-5-4-6-13(8-12)21-3/h4-8H,9H2,1-3H3,(H,16,20)
InChIKeyNVFHYMMXAQZANL-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.58
Rot. Bonds4

About N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide

N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide (PubChem CID 658976) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide
PubChem CID658976
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(=O)n2nc(C)cc2C)c1
InChIInChI=1S/C15H17N3O3/c1-10-7-11(2)18(17-10)14(19)9-16-15(20)12-5-4-6-13(8-12)21-3/h4-8H,9H2,1-3H3,(H,16,20)
InChIKeyNVFHYMMXAQZANL-UHFFFAOYSA-N
XLogP1.58
TPSA73.22 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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(tert-butyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2811299
N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
Benzo[1,3]dioxole-5-carboxylic acid [2-(3,5-dimethyl-pyrazol-1-yl)-propyl]-amide
CID 6499837
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2-methoxybenzamide
CID 658803
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide
CID 658913
4-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-[(4-methoxyphenyl)methyl]butanamide
CID 20919914
2-[6-(3-methoxyphenyl)-4-oxo-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide
CID 49865463
(3,5-dimethyl-1H-pyrazol-1-yl)(4-methoxyphenyl)methanone
CID 910410
N-(3-methoxybenzyl)-5-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 16022629
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-3,4-dimethoxybenzamide
CID 658857
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
CID 658961
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxybenzamide
CID 894645

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide (CID 658976) is N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCC(=O)n2nc(C)cc2C)c1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is NVFHYMMXAQZANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-7-11(2)18(17-10)14(19)9-16-15(20)12-5-4-6-13(8-12)21-3/h4-8H,9H2,1-3H3,(H,16,20).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 287.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 658976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).