N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3,4,5-trimethoxybenzamide

C17H23N3O4 — CID 4246879

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3,4,5-trimethoxybenzamide
SMILESCCn1nc(C)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1C
InChIInChI=1S/C17H23N3O4/c1-7-20-11(3)15(10(2)19-20)18-17(21)12-8-13(22-4)16(24-6)14(9-12)23-5/h8-9H,7H2,1-6H3,(H,18,21)
InChIKeySSYALJHOUOIFEJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.80
Rot. Bonds6

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3,4,5-trimethoxybenzamide

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3,4,5-trimethoxybenzamide (PubChem CID 4246879) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3,4,5-trimethoxybenzamide
PubChem CID4246879
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3,4,5-trimethoxybenzamide
SMILESCCn1nc(C)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1C
InChIInChI=1S/C17H23N3O4/c1-7-20-11(3)15(10(2)19-20)18-17(21)12-8-13(22-4)16(24-6)14(9-12)23-5/h8-9H,7H2,1-6H3,(H,18,21)
InChIKeySSYALJHOUOIFEJ-UHFFFAOYSA-N
XLogP2.80
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(difluoromethoxy)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methoxybenzamide
CID 4864770
N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-dimethoxybenzamide
CID 19341334
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 20964133
N-[N-(2,3-dimethylphenyl)-N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]carbamimidoyl]-3,4,5-trimethoxybenzamide
CID 46293260
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide
CID 19335776
N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide
CID 19402023
3,4,5-trimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112526
3,4,5-trimethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide
CID 35180458
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 25283142
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide
CID 19407877
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide
CID 122303589
N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)-3,4,5-trimethoxybenzamide
CID 53200828

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3,4,5-trimethoxybenzamide (CID 4246879) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3,4,5-trimethoxybenzamide is CCn1nc(C)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is SSYALJHOUOIFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-7-20-11(3)15(10(2)19-20)18-17(21)12-8-13(22-4)16(24-6)14(9-12)23-5/h8-9H,7H2,1-6H3,(H,18,21).
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3,4,5-trimethoxybenzamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 333.39 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 4246879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).