5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentanoic acid

C12H20N2O2 — CID 61237215

IUPAC5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentanoic acid
SMILESCCc1c(C)nn(CCCCC(=O)O)c1C
InChIInChI=1S/C12H20N2O2/c1-4-11-9(2)13-14(10(11)3)8-6-5-7-12(15)16/h4-8H2,1-3H3,(H,15,16)
InChIKeyBKFZLSIASOPPDM-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.32
Rot. Bonds6

About 5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentanoic acid

5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentanoic acid (PubChem CID 61237215) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentanoic acid
PubChem CID61237215
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentanoic acid
SMILESCCc1c(C)nn(CCCCC(=O)O)c1C
InChIInChI=1S/C12H20N2O2/c1-4-11-9(2)13-14(10(11)3)8-6-5-7-12(15)16/h4-8H2,1-3H3,(H,15,16)
InChIKeyBKFZLSIASOPPDM-UHFFFAOYSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.32
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 5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentanoic acid?
The IUPAC name of 5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentanoic acid (CID 61237215) is 5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentanoic acid.
What is the SMILES notation for 5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentanoic acid?
The canonical SMILES for 5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentanoic acid is CCc1c(C)nn(CCCCC(=O)O)c1C.
What is the InChIKey of 5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentanoic acid?
The InChIKey is BKFZLSIASOPPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-11-9(2)13-14(10(11)3)8-6-5-7-12(15)16/h4-8H2,1-3H3,(H,15,16).
What are the key properties of 5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentanoic acid?
5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentanoic acid has a molecular weight of 224.30 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentanoic acid is sourced from PubChem (CID 61237215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).