3-(2,5-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide

C15H19N3O3 — CID 47038552

IUPAC3-(2,5-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
SMILESCOc1ccc(OC)c(CCC(=O)Nc2cc(C)[nH]n2)c1
InChIInChI=1S/C15H19N3O3/c1-10-8-14(18-17-10)16-15(19)7-4-11-9-12(20-2)5-6-13(11)21-3/h5-6,8-9H,4,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyGFSAWVOCZHXECY-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.31
Rot. Bonds6

About 3-(2,5-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide

3-(2,5-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide (PubChem CID 47038552) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
PubChem CID47038552
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name3-(2,5-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
SMILESCOc1ccc(OC)c(CCC(=O)Nc2cc(C)[nH]n2)c1
InChIInChI=1S/C15H19N3O3/c1-10-8-14(18-17-10)16-15(19)7-4-11-9-12(20-2)5-6-13(11)21-3/h5-6,8-9H,4,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyGFSAWVOCZHXECY-UHFFFAOYSA-N
XLogP2.31
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide (CID 47038552) is 3-(2,5-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide is COc1ccc(OC)c(CCC(=O)Nc2cc(C)[nH]n2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is GFSAWVOCZHXECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-8-14(18-17-10)16-15(19)7-4-11-9-12(20-2)5-6-13(11)21-3/h5-6,8-9H,4,7H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
3-(2,5-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 289.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 47038552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).