N-(1-butanoyl-3,5-dimethylpyrazol-4-yl)butanamide

C13H21N3O2 — CID 745532

IUPACN-(1-butanoyl-3,5-dimethylpyrazol-4-yl)butanamide
SMILESCCCC(=O)Nc1c(C)nn(C(=O)CCC)c1C
InChIInChI=1S/C13H21N3O2/c1-5-7-11(17)14-13-9(3)15-16(10(13)4)12(18)8-6-2/h5-8H2,1-4H3,(H,14,17)
InChIKeyJRDKSFWJCCUJAO-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.68
Rot. Bonds5

About N-(1-butanoyl-3,5-dimethylpyrazol-4-yl)butanamide

N-(1-butanoyl-3,5-dimethylpyrazol-4-yl)butanamide (PubChem CID 745532) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(1-butanoyl-3,5-dimethylpyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-(1-butanoyl-3,5-dimethylpyrazol-4-yl)butanamide
PubChem CID745532
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(1-butanoyl-3,5-dimethylpyrazol-4-yl)butanamide
SMILESCCCC(=O)Nc1c(C)nn(C(=O)CCC)c1C
InChIInChI=1S/C13H21N3O2/c1-5-7-11(17)14-13-9(3)15-16(10(13)4)12(18)8-6-2/h5-8H2,1-4H3,(H,14,17)
InChIKeyJRDKSFWJCCUJAO-UHFFFAOYSA-N
XLogP2.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-butanoyl-3,5-dimethylpyrazol-4-yl)butanamide?
The IUPAC name of N-(1-butanoyl-3,5-dimethylpyrazol-4-yl)butanamide (CID 745532) is N-(1-butanoyl-3,5-dimethylpyrazol-4-yl)butanamide.
What is the SMILES notation for N-(1-butanoyl-3,5-dimethylpyrazol-4-yl)butanamide?
The canonical SMILES for N-(1-butanoyl-3,5-dimethylpyrazol-4-yl)butanamide is CCCC(=O)Nc1c(C)nn(C(=O)CCC)c1C.
What is the InChIKey of N-(1-butanoyl-3,5-dimethylpyrazol-4-yl)butanamide?
The InChIKey is JRDKSFWJCCUJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-5-7-11(17)14-13-9(3)15-16(10(13)4)12(18)8-6-2/h5-8H2,1-4H3,(H,14,17).
What are the key properties of N-(1-butanoyl-3,5-dimethylpyrazol-4-yl)butanamide?
N-(1-butanoyl-3,5-dimethylpyrazol-4-yl)butanamide has a molecular weight of 251.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butanoyl-3,5-dimethylpyrazol-4-yl)butanamide is sourced from PubChem (CID 745532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).