3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide

C15H19N3O2 — CID 3245018

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCn2nc(C)cc2C)cc1
InChIInChI=1S/C15H19N3O2/c1-11-10-12(2)18(17-11)9-8-15(19)16-13-4-6-14(20-3)7-5-13/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKeyDKGCCSKGZYDZKW-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.54
Rot. Bonds5

About 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide

3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide (PubChem CID 3245018) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide
PubChem CID3245018
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCn2nc(C)cc2C)cc1
InChIInChI=1S/C15H19N3O2/c1-11-10-12(2)18(17-11)9-8-15(19)16-13-4-6-14(20-3)7-5-13/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKeyDKGCCSKGZYDZKW-UHFFFAOYSA-N
XLogP2.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide (CID 3245018) is 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCn2nc(C)cc2C)cc1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide?
The InChIKey is DKGCCSKGZYDZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-10-12(2)18(17-11)9-8-15(19)16-13-4-6-14(20-3)7-5-13/h4-7,10H,8-9H2,1-3H3,(H,16,19).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide has a molecular weight of 273.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 3245018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).