1-(2-methoxyethyl)-3-propan-2-ylpyrazole-5-carboxylic acid

C10H16N2O3 — CID 82284276

IUPAC1-(2-methoxyethyl)-3-propan-2-ylpyrazole-5-carboxylic acid
SMILESCOCCn1nc(C(C)C)cc1C(=O)O
InChIInChI=1S/C10H16N2O3/c1-7(2)8-6-9(10(13)14)12(11-8)4-5-15-3/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyGLHICCLVXGKORZ-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.35
Rot. Bonds5

About 1-(2-methoxyethyl)-3-propan-2-ylpyrazole-5-carboxylic acid

1-(2-methoxyethyl)-3-propan-2-ylpyrazole-5-carboxylic acid (PubChem CID 82284276) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-propan-2-ylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-propan-2-ylpyrazole-5-carboxylic acid
PubChem CID82284276
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-(2-methoxyethyl)-3-propan-2-ylpyrazole-5-carboxylic acid
SMILESCOCCn1nc(C(C)C)cc1C(=O)O
InChIInChI=1S/C10H16N2O3/c1-7(2)8-6-9(10(13)14)12(11-8)4-5-15-3/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyGLHICCLVXGKORZ-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-3-(4-methylphenyl)pyrazole-5-carboxylic acid
CID 82301479
1-(2-oxopropyl)-3-propan-2-ylpyrazole-5-carboxylic acid
CID 71161746
1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylic acid
CID 59984584
1-[(4-methoxyphenyl)methyl]-3-propan-2-ylpyrazole-5-carboxylic acid
CID 82306829
3-(1-methoxypropan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylic acid
CID 140816137
1-[(2,5-dimethylphenyl)methyl]-3-propan-2-ylpyrazole-5-carboxylic acid
CID 82306371
1-[(2,4-dimethylphenyl)methyl]-3-propan-2-ylpyrazole-5-carboxylic acid
CID 82306375
methyl 1-methyl-3-propan-2-ylpyrazole-5-carboxylate
CID 25248219
1-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 103712500
methyl 1-(2-oxoethyl)-3-propan-2-ylpyrazole-5-carboxylate
CID 83834748
1-ethyl-3-(methoxymethyl)pyrazole-5-carboxylic acid
CID 117216170
N-[(2R)-1-methoxy-2-phenylpropan-2-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 96560022

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-propan-2-ylpyrazole-5-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)-3-propan-2-ylpyrazole-5-carboxylic acid (CID 82284276) is 1-(2-methoxyethyl)-3-propan-2-ylpyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)-3-propan-2-ylpyrazole-5-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)-3-propan-2-ylpyrazole-5-carboxylic acid is COCCn1nc(C(C)C)cc1C(=O)O.
What is the InChIKey of 1-(2-methoxyethyl)-3-propan-2-ylpyrazole-5-carboxylic acid?
The InChIKey is GLHICCLVXGKORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7(2)8-6-9(10(13)14)12(11-8)4-5-15-3/h6-7H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 1-(2-methoxyethyl)-3-propan-2-ylpyrazole-5-carboxylic acid?
1-(2-methoxyethyl)-3-propan-2-ylpyrazole-5-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-propan-2-ylpyrazole-5-carboxylic acid is sourced from PubChem (CID 82284276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).