N-(3,4,5-trimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C18H25N3O4 — CID 17499400

IUPACN-(3,4,5-trimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1cc(NC(=O)CCc2c(C)nn(C)c2C)cc(OC)c1OC
InChIInChI=1S/C18H25N3O4/c1-11-14(12(2)21(3)20-11)7-8-17(22)19-13-9-15(23-4)18(25-6)16(10-13)24-5/h9-10H,7-8H2,1-6H3,(H,19,22)
InChIKeyOKLPETZRZCUMEL-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.63
Rot. Bonds7

About N-(3,4,5-trimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(3,4,5-trimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 17499400) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(3,4,5-trimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(3,4,5-trimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID17499400
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-(3,4,5-trimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1cc(NC(=O)CCc2c(C)nn(C)c2C)cc(OC)c1OC
InChIInChI=1S/C18H25N3O4/c1-11-14(12(2)21(3)20-11)7-8-17(22)19-13-9-15(23-4)18(25-6)16(10-13)24-5/h9-10H,7-8H2,1-6H3,(H,19,22)
InChIKeyOKLPETZRZCUMEL-UHFFFAOYSA-N
XLogP2.63
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17483732
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 20863546
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51334690
N-[3-(methoxymethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 32639084
N-[(2-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24574499
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 34082229
3-(2-methyl-1,3-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 110679342
N-(2-amino-5-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 119421250
N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51290114
dimethyl 5-[[2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyloxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 46673267
methyl 4-(difluoromethoxy)-5-methoxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzoate
CID 55520143
N-(6-amino-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 119515818

Frequently Asked Questions

What is the IUPAC name of N-(3,4,5-trimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(3,4,5-trimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 17499400) is N-(3,4,5-trimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(3,4,5-trimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(3,4,5-trimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is COc1cc(NC(=O)CCc2c(C)nn(C)c2C)cc(OC)c1OC.
What is the InChIKey of N-(3,4,5-trimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is OKLPETZRZCUMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-11-14(12(2)21(3)20-11)7-8-17(22)19-13-9-15(23-4)18(25-6)16(10-13)24-5/h9-10H,7-8H2,1-6H3,(H,19,22).
What are the key properties of N-(3,4,5-trimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(3,4,5-trimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 347.42 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,5-trimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 17499400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).