2-(1,3,5-trimethylpyrazol-4-yl)oxypentanoic acid

C11H18N2O3 — CID 83038740

IUPAC2-(1,3,5-trimethylpyrazol-4-yl)oxypentanoic acid
SMILESCCCC(Oc1c(C)nn(C)c1C)C(=O)O
InChIInChI=1S/C11H18N2O3/c1-5-6-9(11(14)15)16-10-7(2)12-13(4)8(10)3/h9H,5-6H2,1-4H3,(H,14,15)
InChIKeyBILHAPGPBDBETN-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.67
Rot. Bonds5

About 2-(1,3,5-trimethylpyrazol-4-yl)oxypentanoic acid

2-(1,3,5-trimethylpyrazol-4-yl)oxypentanoic acid (PubChem CID 83038740) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(1,3,5-trimethylpyrazol-4-yl)oxypentanoic acid.

Molecular Properties

Compound Name2-(1,3,5-trimethylpyrazol-4-yl)oxypentanoic acid
PubChem CID83038740
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-(1,3,5-trimethylpyrazol-4-yl)oxypentanoic acid
SMILESCCCC(Oc1c(C)nn(C)c1C)C(=O)O
InChIInChI=1S/C11H18N2O3/c1-5-6-9(11(14)15)16-10-7(2)12-13(4)8(10)3/h9H,5-6H2,1-4H3,(H,14,15)
InChIKeyBILHAPGPBDBETN-UHFFFAOYSA-N
XLogP1.67
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanoic acid
CID 65055851
2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]pentanoic acid
CID 43631836
2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pentanoic acid
CID 83037445
2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]pentanoic acid
CID 83048971
2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]pentanoic acid
CID 107739093
2-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]pentanoic acid
CID 43630682
(2R)-1-(1,3,5-trimethylpyrazol-4-yl)oxypropan-2-ol
CID 106933152
4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-one
CID 105091343
(E)-3-(1,3,5-trimethylpyrazol-4-yl)hex-2-enoic acid
CID 112721876
2-[2-(2-aminoethyl)-6-methylphenoxy]pentanoic acid
CID 112614810
2-methoxy-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 114144238
2-pyridin-2-yloxypentanoic acid
CID 69474855

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)oxypentanoic acid?
The IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)oxypentanoic acid (CID 83038740) is 2-(1,3,5-trimethylpyrazol-4-yl)oxypentanoic acid.
What is the SMILES notation for 2-(1,3,5-trimethylpyrazol-4-yl)oxypentanoic acid?
The canonical SMILES for 2-(1,3,5-trimethylpyrazol-4-yl)oxypentanoic acid is CCCC(Oc1c(C)nn(C)c1C)C(=O)O.
What is the InChIKey of 2-(1,3,5-trimethylpyrazol-4-yl)oxypentanoic acid?
The InChIKey is BILHAPGPBDBETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-5-6-9(11(14)15)16-10-7(2)12-13(4)8(10)3/h9H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 2-(1,3,5-trimethylpyrazol-4-yl)oxypentanoic acid?
2-(1,3,5-trimethylpyrazol-4-yl)oxypentanoic acid has a molecular weight of 226.28 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-trimethylpyrazol-4-yl)oxypentanoic acid is sourced from PubChem (CID 83038740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).