4-(4-ethylphenyl)-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)butanamide

C18H23N3O2 — CID 78772185

IUPAC4-(4-ethylphenyl)-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)butanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2ccnn2C(C)C)cc1
InChIInChI=1S/C18H23N3O2/c1-4-14-5-7-15(8-6-14)16(22)9-10-18(23)20-17-11-12-19-21(17)13(2)3/h5-8,11-13H,4,9-10H2,1-3H3,(H,20,23)
InChIKeyRZQAHOCDZPXSNO-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.63
Rot. Bonds7

About 4-(4-ethylphenyl)-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)butanamide

4-(4-ethylphenyl)-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)butanamide (PubChem CID 78772185) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)butanamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)butanamide
PubChem CID78772185
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-(4-ethylphenyl)-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)butanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2ccnn2C(C)C)cc1
InChIInChI=1S/C18H23N3O2/c1-4-14-5-7-15(8-6-14)16(22)9-10-18(23)20-17-11-12-19-21(17)13(2)3/h5-8,11-13H,4,9-10H2,1-3H3,(H,20,23)
InChIKeyRZQAHOCDZPXSNO-UHFFFAOYSA-N
XLogP3.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-butan-2-ylpyrazol-3-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 78840816
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 78772171
3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30186728
4-amino-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 71668599
4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide
CID 27699850
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 112761610
2-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 47097280
N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]benzamide
CID 30181874
N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 47110779
4-(4-ethylphenyl)-N-(3-methylbutan-2-yl)-4-oxobutanamide
CID 78780258
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4-(acetamidomethyl)benzoate
CID 18195644
3-(1,3-benzodioxol-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30186764

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)butanamide?
The IUPAC name of 4-(4-ethylphenyl)-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)butanamide (CID 78772185) is 4-(4-ethylphenyl)-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)butanamide.
What is the SMILES notation for 4-(4-ethylphenyl)-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)butanamide?
The canonical SMILES for 4-(4-ethylphenyl)-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)butanamide is CCc1ccc(C(=O)CCC(=O)Nc2ccnn2C(C)C)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)butanamide?
The InChIKey is RZQAHOCDZPXSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-14-5-7-15(8-6-14)16(22)9-10-18(23)20-17-11-12-19-21(17)13(2)3/h5-8,11-13H,4,9-10H2,1-3H3,(H,20,23).
What are the key properties of 4-(4-ethylphenyl)-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)butanamide?
4-(4-ethylphenyl)-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)butanamide has a molecular weight of 313.40 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)butanamide is sourced from PubChem (CID 78772185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).