3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C15H17N3O2 — CID 110473196

IUPAC3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)CC(=O)c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-10-15(11(2)18(3)17-10)16-14(20)9-13(19)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,16,20)
InChIKeyURMWOULBYUBUKF-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.25
Rot. Bonds4

About 3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 110473196) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID110473196
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)CC(=O)c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-10-15(11(2)18(3)17-10)16-14(20)9-13(19)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,16,20)
InChIKeyURMWOULBYUBUKF-UHFFFAOYSA-N
XLogP2.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-oxo-4-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide
CID 20969113
3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499
3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride
CID 119949012
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-phenylacetate
CID 7697898
2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 26551937
2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977
2-[[(S)-cyclobutyl(phenyl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 95312814
2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78815389
N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-oxo-3-phenylpropanamide
CID 110473163
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47015272
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60717287
2-(2-methylindol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 71690037

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of 3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 110473196) is 3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1NC(=O)CC(=O)c1ccccc1.
What is the InChIKey of 3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is URMWOULBYUBUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-15(11(2)18(3)17-10)16-14(20)9-13(19)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,16,20).
What are the key properties of 3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 271.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 110473196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).