butyl 4-hydroxy-4-(1-propylpyrazol-4-yl)butanoate

C14H24N2O3 — CID 103572850

IUPACbutyl 4-hydroxy-4-(1-propylpyrazol-4-yl)butanoate
SMILESCCCCOC(=O)CCC(O)c1cnn(CCC)c1
InChIInChI=1S/C14H24N2O3/c1-3-5-9-19-14(18)7-6-13(17)12-10-15-16(11-12)8-4-2/h10-11,13,17H,3-9H2,1-2H3
InChIKeyUHDXIBYVOMEZSM-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.45
Rot. Bonds9

About butyl 4-hydroxy-4-(1-propylpyrazol-4-yl)butanoate

butyl 4-hydroxy-4-(1-propylpyrazol-4-yl)butanoate (PubChem CID 103572850) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is butyl 4-hydroxy-4-(1-propylpyrazol-4-yl)butanoate.

Molecular Properties

Compound Namebutyl 4-hydroxy-4-(1-propylpyrazol-4-yl)butanoate
PubChem CID103572850
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namebutyl 4-hydroxy-4-(1-propylpyrazol-4-yl)butanoate
SMILESCCCCOC(=O)CCC(O)c1cnn(CCC)c1
InChIInChI=1S/C14H24N2O3/c1-3-5-9-19-14(18)7-6-13(17)12-10-15-16(11-12)8-4-2/h10-11,13,17H,3-9H2,1-2H3
InChIKeyUHDXIBYVOMEZSM-UHFFFAOYSA-N
XLogP2.45
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl 4-(3-tert-butyl-1-methylpyrazol-4-yl)-4-hydroxybutanoate
CID 83092247
ethyl 3-(4-tridecan-7-ylpyrazol-1-yl)propanoate
CID 167093864
1-(1-propylpyrazol-4-yl)pent-4-yn-1-ol
CID 103572625
butyl 4-(3-fluoro-4-methylphenyl)-4-hydroxybutanoate
CID 63645344
3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 106590646
methyl 4-amino-3-(1-propylpyrazol-4-yl)butanoate
CID 103573475
butyl 4-hydroxy-4-(1-methyl-2,3-dihydroindol-5-yl)butanoate
CID 62095628
methyl 2-amino-2-(1-propylpyrazol-4-yl)acetate
CID 103572127
5-butoxy-2-hydroxy-5-oxopentanoic acid
CID 174935037
2-amino-2-(1-propylpyrazol-4-yl)acetamide
CID 103572056
[3-ethoxy-1-(1-propylpyrazol-4-yl)propyl]hydrazine
CID 105288600
1-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanol
CID 104566990

Frequently Asked Questions

What is the IUPAC name of butyl 4-hydroxy-4-(1-propylpyrazol-4-yl)butanoate?
The IUPAC name of butyl 4-hydroxy-4-(1-propylpyrazol-4-yl)butanoate (CID 103572850) is butyl 4-hydroxy-4-(1-propylpyrazol-4-yl)butanoate.
What is the SMILES notation for butyl 4-hydroxy-4-(1-propylpyrazol-4-yl)butanoate?
The canonical SMILES for butyl 4-hydroxy-4-(1-propylpyrazol-4-yl)butanoate is CCCCOC(=O)CCC(O)c1cnn(CCC)c1.
What is the InChIKey of butyl 4-hydroxy-4-(1-propylpyrazol-4-yl)butanoate?
The InChIKey is UHDXIBYVOMEZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-5-9-19-14(18)7-6-13(17)12-10-15-16(11-12)8-4-2/h10-11,13,17H,3-9H2,1-2H3.
What are the key properties of butyl 4-hydroxy-4-(1-propylpyrazol-4-yl)butanoate?
butyl 4-hydroxy-4-(1-propylpyrazol-4-yl)butanoate has a molecular weight of 268.36 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-hydroxy-4-(1-propylpyrazol-4-yl)butanoate is sourced from PubChem (CID 103572850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).