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

C16H19N3O4 — CID 658857

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)n2nc(C)cc2C)cc1OC
InChIInChI=1S/C16H19N3O4/c1-10-7-11(2)19(18-10)15(20)9-17-16(21)12-5-6-13(22-3)14(8-12)23-4/h5-8H,9H2,1-4H3,(H,17,21)
InChIKeyWTTYMJRWTPKGCX-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.59
Rot. Bonds5

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

N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 658857) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID658857
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)n2nc(C)cc2C)cc1OC
InChIInChI=1S/C16H19N3O4/c1-10-7-11(2)19(18-10)15(20)9-17-16(21)12-5-6-13(22-3)14(8-12)23-4/h5-8H,9H2,1-4H3,(H,17,21)
InChIKeyWTTYMJRWTPKGCX-UHFFFAOYSA-N
XLogP1.59
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide (CID 658857) is N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(=O)n2nc(C)cc2C)cc1OC.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is WTTYMJRWTPKGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10-7-11(2)19(18-10)15(20)9-17-16(21)12-5-6-13(22-3)14(8-12)23-4/h5-8H,9H2,1-4H3,(H,17,21).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 317.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 658857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).