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

C15H19N3O2 — CID 20464

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide
SMILESCCCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C15H19N3O2/c1-4-8-13(19)16-14-11(2)17(3)18(15(14)20)12-9-6-5-7-10-12/h5-7,9-10H,4,8H2,1-3H3,(H,16,19)
InChIKeyJGZUSQFCBCRNRC-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.22
Rot. Bonds4

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

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide (PubChem CID 20464) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide
PubChem CID20464
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide
SMILESCCCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C15H19N3O2/c1-4-8-13(19)16-14-11(2)17(3)18(15(14)20)12-9-6-5-7-10-12/h5-7,9-10H,4,8H2,1-3H3,(H,16,19)
InChIKeyJGZUSQFCBCRNRC-UHFFFAOYSA-N
XLogP2.22
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.22
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)butanamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide (CID 20464) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide is CCCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide?
The InChIKey is JGZUSQFCBCRNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-8-13(19)16-14-11(2)17(3)18(15(14)20)12-9-6-5-7-10-12/h5-7,9-10H,4,8H2,1-3H3,(H,16,19).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide has a molecular weight of 273.34 g/mol, XLogP of 2.22, 4 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)butanamide is sourced from PubChem (CID 20464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).