1-ethyl-3-(methoxymethyl)pyrazole-5-carboxylic acid

C8H12N2O3 — CID 117216170

IUPAC1-ethyl-3-(methoxymethyl)pyrazole-5-carboxylic acid
SMILESCCn1nc(COC)cc1C(=O)O
InChIInChI=1S/C8H12N2O3/c1-3-10-7(8(11)12)4-6(9-10)5-13-2/h4H,3,5H2,1-2H3,(H,11,12)
InChIKeyKGIAOXJRRPZPBJ-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.75
Rot. Bonds4

About 1-ethyl-3-(methoxymethyl)pyrazole-5-carboxylic acid

1-ethyl-3-(methoxymethyl)pyrazole-5-carboxylic acid (PubChem CID 117216170) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-ethyl-3-(methoxymethyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-3-(methoxymethyl)pyrazole-5-carboxylic acid
PubChem CID117216170
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1-ethyl-3-(methoxymethyl)pyrazole-5-carboxylic acid
SMILESCCn1nc(COC)cc1C(=O)O
InChIInChI=1S/C8H12N2O3/c1-3-10-7(8(11)12)4-6(9-10)5-13-2/h4H,3,5H2,1-2H3,(H,11,12)
InChIKeyKGIAOXJRRPZPBJ-UHFFFAOYSA-N
XLogP0.75
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-(2-methoxy-4,5-dimethylphenyl)pyrazole-5-carboxylic acid
CID 82306859
1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide
CID 82721370
1-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylpropan-1-one
CID 170286805
1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid
CID 82376222
1-ethyl-4-(methoxymethyl)imidazole-2-carboxylic acid
CID 117192152
3-(2-chlorophenyl)-1-ethylpyrazole-5-carboxylic acid
CID 67143292
1-(2-methoxyethyl)-3-propan-2-ylpyrazole-5-carboxylic acid
CID 82284276
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid
CID 84761108
1-ethyl-3-(4-fluorophenoxy)carbonylpyrazole-5-carboxylic acid
CID 117215565
methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate
CID 66120627
1-prop-2-enyl-3-propylpyrazole-5-carboxylic acid
CID 82281782

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(methoxymethyl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-ethyl-3-(methoxymethyl)pyrazole-5-carboxylic acid (CID 117216170) is 1-ethyl-3-(methoxymethyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-ethyl-3-(methoxymethyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-ethyl-3-(methoxymethyl)pyrazole-5-carboxylic acid is CCn1nc(COC)cc1C(=O)O.
What is the InChIKey of 1-ethyl-3-(methoxymethyl)pyrazole-5-carboxylic acid?
The InChIKey is KGIAOXJRRPZPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-10-7(8(11)12)4-6(9-10)5-13-2/h4H,3,5H2,1-2H3,(H,11,12).
What are the key properties of 1-ethyl-3-(methoxymethyl)pyrazole-5-carboxylic acid?
1-ethyl-3-(methoxymethyl)pyrazole-5-carboxylic acid has a molecular weight of 184.19 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(methoxymethyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 117216170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).