5-(3,4,5-trimethylpyrazol-1-yl)pentanoic acid

C11H18N2O2 — CID 61226525

IUPAC5-(3,4,5-trimethylpyrazol-1-yl)pentanoic acid
SMILESCc1nn(CCCCC(=O)O)c(C)c1C
InChIInChI=1S/C11H18N2O2/c1-8-9(2)12-13(10(8)3)7-5-4-6-11(14)15/h4-7H2,1-3H3,(H,14,15)
InChIKeyAZYCDNONMPPZPQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.06
Rot. Bonds5

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

5-(3,4,5-trimethylpyrazol-1-yl)pentanoic acid (PubChem CID 61226525) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-(3,4,5-trimethylpyrazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(3,4,5-trimethylpyrazol-1-yl)pentanoic acid
PubChem CID61226525
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name5-(3,4,5-trimethylpyrazol-1-yl)pentanoic acid
SMILESCc1nn(CCCCC(=O)O)c(C)c1C
InChIInChI=1S/C11H18N2O2/c1-8-9(2)12-13(10(8)3)7-5-4-6-11(14)15/h4-7H2,1-3H3,(H,14,15)
InChIKeyAZYCDNONMPPZPQ-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.06
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-(3,4,5-trimethylpyrazol-1-yl)pentanoic acid?
The IUPAC name of 5-(3,4,5-trimethylpyrazol-1-yl)pentanoic acid (CID 61226525) is 5-(3,4,5-trimethylpyrazol-1-yl)pentanoic acid.
What is the SMILES notation for 5-(3,4,5-trimethylpyrazol-1-yl)pentanoic acid?
The canonical SMILES for 5-(3,4,5-trimethylpyrazol-1-yl)pentanoic acid is Cc1nn(CCCCC(=O)O)c(C)c1C.
What is the InChIKey of 5-(3,4,5-trimethylpyrazol-1-yl)pentanoic acid?
The InChIKey is AZYCDNONMPPZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-9(2)12-13(10(8)3)7-5-4-6-11(14)15/h4-7H2,1-3H3,(H,14,15).
What are the key properties of 5-(3,4,5-trimethylpyrazol-1-yl)pentanoic acid?
5-(3,4,5-trimethylpyrazol-1-yl)pentanoic acid has a molecular weight of 210.28 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,5-trimethylpyrazol-1-yl)pentanoic acid is sourced from PubChem (CID 61226525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).