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

C16H19N3O2 — CID 20969113

IUPAC4-oxo-4-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide
SMILESCc1nn(C)c(C)c1NC(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-11-16(12(2)19(3)18-11)17-15(21)10-9-14(20)13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3,(H,17,21)
InChIKeyVHJIELVJRNBZGG-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.64
Rot. Bonds5

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

4-oxo-4-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide (PubChem CID 20969113) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-oxo-4-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide.

Molecular Properties

Compound Name4-oxo-4-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide
PubChem CID20969113
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-oxo-4-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide
SMILESCc1nn(C)c(C)c1NC(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-11-16(12(2)19(3)18-11)17-15(21)10-9-14(20)13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3,(H,17,21)
InChIKeyVHJIELVJRNBZGG-UHFFFAOYSA-N
XLogP2.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110473196
3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-(1,3,5-trimethylpyrazol-4-yl)butanamide
CID 30710459
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7698746
4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide
CID 78776242
3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride
CID 119949012
2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78815389
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 24686135
4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide
CID 79192900
[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

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide?
The IUPAC name of 4-oxo-4-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide (CID 20969113) is 4-oxo-4-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide.
What is the SMILES notation for 4-oxo-4-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide?
The canonical SMILES for 4-oxo-4-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide is Cc1nn(C)c(C)c1NC(=O)CCC(=O)c1ccccc1.
What is the InChIKey of 4-oxo-4-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide?
The InChIKey is VHJIELVJRNBZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-16(12(2)19(3)18-11)17-15(21)10-9-14(20)13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3,(H,17,21).
What are the key properties of 4-oxo-4-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide?
4-oxo-4-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide has a molecular weight of 285.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide is sourced from PubChem (CID 20969113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).