N-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C17H23N3O3 — CID 17483732

IUPACN-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2c(C)nn(C)c2C)c(OC)c1
InChIInChI=1S/C17H23N3O3/c1-11-14(12(2)20(3)19-11)7-9-17(21)18-15-8-6-13(22-4)10-16(15)23-5/h6,8,10H,7,9H2,1-5H3,(H,18,21)
InChIKeyQDYVWMCTIMBZQU-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.63
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 17483732) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID17483732
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2c(C)nn(C)c2C)c(OC)c1
InChIInChI=1S/C17H23N3O3/c1-11-14(12(2)20(3)19-11)7-9-17(21)18-15-8-6-13(22-4)10-16(15)23-5/h6,8,10H,7,9H2,1-5H3,(H,18,21)
InChIKeyQDYVWMCTIMBZQU-UHFFFAOYSA-N
XLogP2.63
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-5-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 119421250
3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2,4-dimethoxyphenyl)propanamide
CID 23602199
N-(3,4,5-trimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17499400
3-(2,4-dimethoxyphenyl)-1-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea
CID 978128
N-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 35091912
N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689020
N-(2,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26692146
methyl 4-(difluoromethoxy)-5-methoxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzoate
CID 55520143
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
N-(2,4-dimethoxyphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 17415208
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
5-chloro-N-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide
CID 51090118

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 17483732) is N-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is COc1ccc(NC(=O)CCc2c(C)nn(C)c2C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is QDYVWMCTIMBZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11-14(12(2)20(3)19-11)7-9-17(21)18-15-8-6-13(22-4)10-16(15)23-5/h6,8,10H,7,9H2,1-5H3,(H,18,21).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 317.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 17483732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).