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

C17H23N3O2 — CID 712203

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C17H23N3O2/c1-5-13(6-2)16(21)18-15-12(3)19(4)20(17(15)22)14-10-8-7-9-11-14/h7-11,13H,5-6H2,1-4H3,(H,18,21)
InChIKeyGIYKHZSCLFNVLJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.86
Rot. Bonds5

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

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethylbutanamide (PubChem CID 712203) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethylbutanamide
PubChem CID712203
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C17H23N3O2/c1-5-13(6-2)16(21)18-15-12(3)19(4)20(17(15)22)14-10-8-7-9-11-14/h7-11,13H,5-6H2,1-4H3,(H,18,21)
InChIKeyGIYKHZSCLFNVLJ-UHFFFAOYSA-N
XLogP2.86
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethylbutanamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethylbutanamide (CID 712203) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethylbutanamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethylbutanamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethylbutanamide?
The InChIKey is GIYKHZSCLFNVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-5-13(6-2)16(21)18-15-12(3)19(4)20(17(15)22)14-10-8-7-9-11-14/h7-11,13H,5-6H2,1-4H3,(H,18,21).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethylbutanamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethylbutanamide has a molecular weight of 301.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethylbutanamide is sourced from PubChem (CID 712203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).