1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyanilino)ethanone

C14H17N3O2 — CID 703663

IUPAC1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyanilino)ethanone
SMILESCOc1ccccc1NCC(=O)n1nc(C)cc1C
InChIInChI=1S/C14H17N3O2/c1-10-8-11(2)17(16-10)14(18)9-15-12-6-4-5-7-13(12)19-3/h4-8,15H,9H2,1-3H3
InChIKeySRGQSOWTUYVSSJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.26
Rot. Bonds4

About 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyanilino)ethanone

1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyanilino)ethanone (PubChem CID 703663) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyanilino)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyanilino)ethanone
PubChem CID703663
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyanilino)ethanone
SMILESCOc1ccccc1NCC(=O)n1nc(C)cc1C
InChIInChI=1S/C14H17N3O2/c1-10-8-11(2)17(16-10)14(18)9-15-12-6-4-5-7-13(12)19-3/h4-8,15H,9H2,1-3H3
InChIKeySRGQSOWTUYVSSJ-UHFFFAOYSA-N
XLogP2.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 892441
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide
CID 658913
N-(2-methoxybenzyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3662930
N-(2-Methoxy-phenyl)-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 646281
4-[2-(3,5-Dimethyl-pyrazol-1-yl)-2-oxo-ethyl]-4H-benzo[1,4]oxazin-3-one
CID 653451
3-(2-Methoxy-phenylcarbamoyl)-pyrazole-1-carboxylic acid butyl ester
CID 654121
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2-(4-methylphenoxy)acetamide
CID 661649
ethyl {3,5-dimethyl-4-[(phenoxyacetyl)amino]-1H-pyrazol-1-yl}acetate
CID 1506939
3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide
CID 3245018
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 8721994
(E)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 787892
(E)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 787888

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyanilino)ethanone?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyanilino)ethanone (CID 703663) is 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyanilino)ethanone.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyanilino)ethanone?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyanilino)ethanone is COc1ccccc1NCC(=O)n1nc(C)cc1C.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyanilino)ethanone?
The InChIKey is SRGQSOWTUYVSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-8-11(2)17(16-10)14(18)9-15-12-6-4-5-7-13(12)19-3/h4-8,15H,9H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyanilino)ethanone?
1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyanilino)ethanone has a molecular weight of 259.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyanilino)ethanone is sourced from PubChem (CID 703663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).