1-(3-methoxyoxetan-3-yl)pyrazole-3-carboxylic acid

C8H10N2O4 — CID 175180047

IUPAC1-(3-methoxyoxetan-3-yl)pyrazole-3-carboxylic acid
SMILESCOC1(n2ccc(C(=O)O)n2)COC1
InChIInChI=1S/C8H10N2O4/c1-13-8(4-14-5-8)10-3-2-6(9-10)7(11)12/h2-3H,4-5H2,1H3,(H,11,12)
InChIKeyCUQVQRPDBZQIHJ-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.09
Rot. Bonds3

About 1-(3-methoxyoxetan-3-yl)pyrazole-3-carboxylic acid

1-(3-methoxyoxetan-3-yl)pyrazole-3-carboxylic acid (PubChem CID 175180047) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 1-(3-methoxyoxetan-3-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxyoxetan-3-yl)pyrazole-3-carboxylic acid
PubChem CID175180047
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name1-(3-methoxyoxetan-3-yl)pyrazole-3-carboxylic acid
SMILESCOC1(n2ccc(C(=O)O)n2)COC1
InChIInChI=1S/C8H10N2O4/c1-13-8(4-14-5-8)10-3-2-6(9-10)7(11)12/h2-3H,4-5H2,1H3,(H,11,12)
InChIKeyCUQVQRPDBZQIHJ-UHFFFAOYSA-N
XLogP-0.09
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyoxetan-3-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(3-methoxyoxetan-3-yl)pyrazole-3-carboxylic acid (CID 175180047) is 1-(3-methoxyoxetan-3-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(3-methoxyoxetan-3-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(3-methoxyoxetan-3-yl)pyrazole-3-carboxylic acid is COC1(n2ccc(C(=O)O)n2)COC1.
What is the InChIKey of 1-(3-methoxyoxetan-3-yl)pyrazole-3-carboxylic acid?
The InChIKey is CUQVQRPDBZQIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-13-8(4-14-5-8)10-3-2-6(9-10)7(11)12/h2-3H,4-5H2,1H3,(H,11,12).
What are the key properties of 1-(3-methoxyoxetan-3-yl)pyrazole-3-carboxylic acid?
1-(3-methoxyoxetan-3-yl)pyrazole-3-carboxylic acid has a molecular weight of 198.18 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyoxetan-3-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 175180047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).