2-acetamido-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide

C17H22N4O3 — CID 3067303

IUPAC2-acetamido-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide
SMILESCCC(NC(C)=O)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C17H22N4O3/c1-5-14(18-12(3)22)16(23)19-15-11(2)20(4)21(17(15)24)13-9-7-6-8-10-13/h6-10,14H,5H2,1-4H3,(H,18,22)(H,19,23)
InChIKeyKNRQVMOOQOIWGX-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.34
Rot. Bonds5

About 2-acetamido-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide

2-acetamido-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide (PubChem CID 3067303) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-acetamido-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide.

Molecular Properties

Compound Name2-acetamido-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide
PubChem CID3067303
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-acetamido-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide
SMILESCCC(NC(C)=O)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C17H22N4O3/c1-5-14(18-12(3)22)16(23)19-15-11(2)20(4)21(17(15)24)13-9-7-6-8-10-13/h6-10,14H,5H2,1-4H3,(H,18,22)(H,19,23)
InChIKeyKNRQVMOOQOIWGX-UHFFFAOYSA-N
XLogP1.34
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide?
The IUPAC name of 2-acetamido-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide (CID 3067303) is 2-acetamido-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide.
What is the SMILES notation for 2-acetamido-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide?
The canonical SMILES for 2-acetamido-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide is CCC(NC(C)=O)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of 2-acetamido-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide?
The InChIKey is KNRQVMOOQOIWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-5-14(18-12(3)22)16(23)19-15-11(2)20(4)21(17(15)24)13-9-7-6-8-10-13/h6-10,14H,5H2,1-4H3,(H,18,22)(H,19,23).
What are the key properties of 2-acetamido-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide?
2-acetamido-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide has a molecular weight of 330.39 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide is sourced from PubChem (CID 3067303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).