3-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)propanamide

C15H19N3O — CID 3236386

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCn2nc(C)cc2C)c1
InChIInChI=1S/C15H19N3O/c1-11-5-4-6-14(9-11)16-15(19)7-8-18-13(3)10-12(2)17-18/h4-6,9-10H,7-8H2,1-3H3,(H,16,19)
InChIKeyCJDSIMNGKXVUAS-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.84
Rot. Bonds4

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

3-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)propanamide (PubChem CID 3236386) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)propanamide
PubChem CID3236386
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCn2nc(C)cc2C)c1
InChIInChI=1S/C15H19N3O/c1-11-5-4-6-14(9-11)16-15(19)7-8-18-13(3)10-12(2)17-18/h4-6,9-10H,7-8H2,1-3H3,(H,16,19)
InChIKeyCJDSIMNGKXVUAS-UHFFFAOYSA-N
XLogP2.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)propanamide (CID 3236386) is 3-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCn2nc(C)cc2C)c1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)propanamide?
The InChIKey is CJDSIMNGKXVUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-5-4-6-14(9-11)16-15(19)7-8-18-13(3)10-12(2)17-18/h4-6,9-10H,7-8H2,1-3H3,(H,16,19).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)propanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)propanamide has a molecular weight of 257.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 3236386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).