N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbutanamide

C13H23N3O — CID 51075402

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCCCn1nc(C)cc1C
InChIInChI=1S/C13H23N3O/c1-5-10(2)13(17)14-7-6-8-16-12(4)9-11(3)15-16/h9-10H,5-8H2,1-4H3,(H,14,17)
InChIKeyKKWAUGGIMNWORT-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.05
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbutanamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbutanamide (PubChem CID 51075402) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbutanamide
PubChem CID51075402
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCCCn1nc(C)cc1C
InChIInChI=1S/C13H23N3O/c1-5-10(2)13(17)14-7-6-8-16-12(4)9-11(3)15-16/h9-10H,5-8H2,1-4H3,(H,14,17)
InChIKeyKKWAUGGIMNWORT-UHFFFAOYSA-N
XLogP2.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbutanamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbutanamide (CID 51075402) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbutanamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbutanamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbutanamide is CCC(C)C(=O)NCCCn1nc(C)cc1C.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbutanamide?
The InChIKey is KKWAUGGIMNWORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-10(2)13(17)14-7-6-8-16-12(4)9-11(3)15-16/h9-10H,5-8H2,1-4H3,(H,14,17).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbutanamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbutanamide has a molecular weight of 237.35 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbutanamide is sourced from PubChem (CID 51075402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).