N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-methoxybenzamide

C15H17N3O3 — CID 745027

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C15H17N3O3/c1-10-8-11(2)18(17-10)14(19)9-16-15(20)12-4-6-13(21-3)7-5-12/h4-8H,9H2,1-3H3,(H,16,20)
InChIKeyWDOLGAIIEFTUSL-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.58
Rot. Bonds4

About N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-methoxybenzamide

N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-methoxybenzamide (PubChem CID 745027) 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]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-methoxybenzamide
PubChem CID745027
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C15H17N3O3/c1-10-8-11(2)18(17-10)14(19)9-16-15(20)12-4-6-13(21-3)7-5-12/h4-8H,9H2,1-3H3,(H,16,20)
InChIKeyWDOLGAIIEFTUSL-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-methoxybenzamide (CID 745027) is N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC(=O)n2nc(C)cc2C)cc1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-methoxybenzamide?
The InChIKey is WDOLGAIIEFTUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-8-11(2)18(17-10)14(19)9-16-15(20)12-4-6-13(21-3)7-5-12/h4-8H,9H2,1-3H3,(H,16,20).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-methoxybenzamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-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]-4-methoxybenzamide is sourced from PubChem (CID 745027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).