2-[1-methyl-5-(2-methylpropoxy)pyrazol-4-yl]acetic acid

C10H16N2O3 — CID 95732681

IUPAC2-[1-methyl-5-(2-methylpropoxy)pyrazol-4-yl]acetic acid
SMILESCC(C)COc1c(CC(=O)O)cnn1C
InChIInChI=1S/C10H16N2O3/c1-7(2)6-15-10-8(4-9(13)14)5-11-12(10)3/h5,7H,4,6H2,1-3H3,(H,13,14)
InChIKeyXFJNXRVPUQUJFM-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.08
Rot. Bonds5

About 2-[1-methyl-5-(2-methylpropoxy)pyrazol-4-yl]acetic acid

2-[1-methyl-5-(2-methylpropoxy)pyrazol-4-yl]acetic acid (PubChem CID 95732681) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[1-methyl-5-(2-methylpropoxy)pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-methyl-5-(2-methylpropoxy)pyrazol-4-yl]acetic acid
PubChem CID95732681
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-[1-methyl-5-(2-methylpropoxy)pyrazol-4-yl]acetic acid
SMILESCC(C)COc1c(CC(=O)O)cnn1C
InChIInChI=1S/C10H16N2O3/c1-7(2)6-15-10-8(4-9(13)14)5-11-12(10)3/h5,7H,4,6H2,1-3H3,(H,13,14)
InChIKeyXFJNXRVPUQUJFM-UHFFFAOYSA-N
XLogP1.08
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methylpropoxy)-3-pyridinyl]acetic acid
CID 83884318
2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid
CID 105469697
2-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]acetic acid
CID 115029825
N-(2-ethyl-4,6-dimethylcyclohex-2-en-1-yl)-1-methyl-5-(2-methylpropoxy)pyrazole-4-carboxamide
CID 163658202
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
CID 79579422
2-methyl-2-[4-(2-methylpropoxy)pyrazol-1-yl]propanoic acid
CID 132990749
1-methyl-5-propoxypyrazole-4-carboxylic acid
CID 95732883
3-(5-bromo-1-methylpyrazol-4-yl)butanoic acid
CID 84803278
2-[5-methyl-2-(2-methylpropoxy)phenyl]acetic acid
CID 39103888
ethane;4-ethyl-1-methyl-5-propan-2-ylpyrazole
CID 163393222
4-(1,5-dimethylpyrazol-4-yl)-3-methyl-4-oxobutanoic acid
CID 79584024
4-aminoadamantan-1-ol;N-(5-hydroxy-2-adamantyl)-1-methyl-5-(2-methylpropoxy)pyrazole-4-carboxamide;1-methyl-5-(2-methylpropoxy)pyrazole-4-carboxylic acid
CID 159976922

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-5-(2-methylpropoxy)pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-methyl-5-(2-methylpropoxy)pyrazol-4-yl]acetic acid (CID 95732681) is 2-[1-methyl-5-(2-methylpropoxy)pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-methyl-5-(2-methylpropoxy)pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-methyl-5-(2-methylpropoxy)pyrazol-4-yl]acetic acid is CC(C)COc1c(CC(=O)O)cnn1C.
What is the InChIKey of 2-[1-methyl-5-(2-methylpropoxy)pyrazol-4-yl]acetic acid?
The InChIKey is XFJNXRVPUQUJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7(2)6-15-10-8(4-9(13)14)5-11-12(10)3/h5,7H,4,6H2,1-3H3,(H,13,14).
What are the key properties of 2-[1-methyl-5-(2-methylpropoxy)pyrazol-4-yl]acetic acid?
2-[1-methyl-5-(2-methylpropoxy)pyrazol-4-yl]acetic acid has a molecular weight of 212.25 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-(2-methylpropoxy)pyrazol-4-yl]acetic acid is sourced from PubChem (CID 95732681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).