N-[3-(3-methylpyrazol-1-yl)propyl]butanamide

C11H19N3O — CID 19323910

IUPACN-[3-(3-methylpyrazol-1-yl)propyl]butanamide
SMILESCCCC(=O)NCCCn1ccc(C)n1
InChIInChI=1S/C11H19N3O/c1-3-5-11(15)12-7-4-8-14-9-6-10(2)13-14/h6,9H,3-5,7-8H2,1-2H3,(H,12,15)
InChIKeyRGLLRUYCEAXSJU-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.50
Rot. Bonds6

About N-[3-(3-methylpyrazol-1-yl)propyl]butanamide

N-[3-(3-methylpyrazol-1-yl)propyl]butanamide (PubChem CID 19323910) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[3-(3-methylpyrazol-1-yl)propyl]butanamide.

Molecular Properties

Compound NameN-[3-(3-methylpyrazol-1-yl)propyl]butanamide
PubChem CID19323910
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[3-(3-methylpyrazol-1-yl)propyl]butanamide
SMILESCCCC(=O)NCCCn1ccc(C)n1
InChIInChI=1S/C11H19N3O/c1-3-5-11(15)12-7-4-8-14-9-6-10(2)13-14/h6,9H,3-5,7-8H2,1-2H3,(H,12,15)
InChIKeyRGLLRUYCEAXSJU-UHFFFAOYSA-N
XLogP1.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.50
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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Related Compounds

N-(3-methoxypropyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19559507
N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555927
N-[3-(3-methylpyrazol-1-yl)propyl]cyclohexanecarboxamide
CID 19323903
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19516982
1-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide
CID 19323686
3,4-diethoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19297941
N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555724
2,4-dichloro-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323927
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555876
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555756
3-chloro-N-[3-(3-methylpyrazol-1-yl)propyl]-1-benzothiophene-2-carboxamide
CID 19323905
2-(difluoromethyl)-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
CID 19323782

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylpyrazol-1-yl)propyl]butanamide?
The IUPAC name of N-[3-(3-methylpyrazol-1-yl)propyl]butanamide (CID 19323910) is N-[3-(3-methylpyrazol-1-yl)propyl]butanamide.
What is the SMILES notation for N-[3-(3-methylpyrazol-1-yl)propyl]butanamide?
The canonical SMILES for N-[3-(3-methylpyrazol-1-yl)propyl]butanamide is CCCC(=O)NCCCn1ccc(C)n1.
What is the InChIKey of N-[3-(3-methylpyrazol-1-yl)propyl]butanamide?
The InChIKey is RGLLRUYCEAXSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-5-11(15)12-7-4-8-14-9-6-10(2)13-14/h6,9H,3-5,7-8H2,1-2H3,(H,12,15).
What are the key properties of N-[3-(3-methylpyrazol-1-yl)propyl]butanamide?
N-[3-(3-methylpyrazol-1-yl)propyl]butanamide has a molecular weight of 209.29 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpyrazol-1-yl)propyl]butanamide is sourced from PubChem (CID 19323910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).