N-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)propanamide

C15H19N3O3 — CID 46339382

IUPACN-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)propanamide
SMILESCOc1cc(NC(=O)CCn2ccc(C)n2)cc(OC)c1
InChIInChI=1S/C15H19N3O3/c1-11-4-6-18(17-11)7-5-15(19)16-12-8-13(20-2)10-14(9-12)21-3/h4,6,8-10H,5,7H2,1-3H3,(H,16,19)
InChIKeySSVYVELLUYDQOH-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.24
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)propanamide

N-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 46339382) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID46339382
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)propanamide
SMILESCOc1cc(NC(=O)CCn2ccc(C)n2)cc(OC)c1
InChIInChI=1S/C15H19N3O3/c1-11-4-6-18(17-11)7-5-15(19)16-12-8-13(20-2)10-14(9-12)21-3/h4,6,8-10H,5,7H2,1-3H3,(H,16,19)
InChIKeySSVYVELLUYDQOH-UHFFFAOYSA-N
XLogP2.24
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)propanamide (CID 46339382) is N-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)propanamide is COc1cc(NC(=O)CCn2ccc(C)n2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is SSVYVELLUYDQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11-4-6-18(17-11)7-5-15(19)16-12-8-13(20-2)10-14(9-12)21-3/h4,6,8-10H,5,7H2,1-3H3,(H,16,19).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)propanamide?
N-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 289.34 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 46339382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).