1-(oxolan-3-yl)pyrazole-4-carboxylic acid

C8H10N2O3 — CID 63935785

IUPAC1-(oxolan-3-yl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CCOC2)c1
InChIInChI=1S/C8H10N2O3/c11-8(12)6-3-9-10(4-6)7-1-2-13-5-7/h3-4,7H,1-2,5H2,(H,11,12)
InChIKeyWJXIQEUPGKJLSQ-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.54
Rot. Bonds2

About 1-(oxolan-3-yl)pyrazole-4-carboxylic acid

1-(oxolan-3-yl)pyrazole-4-carboxylic acid (PubChem CID 63935785) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-(oxolan-3-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(oxolan-3-yl)pyrazole-4-carboxylic acid
PubChem CID63935785
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name1-(oxolan-3-yl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CCOC2)c1
InChIInChI=1S/C8H10N2O3/c11-8(12)6-3-9-10(4-6)7-1-2-13-5-7/h3-4,7H,1-2,5H2,(H,11,12)
InChIKeyWJXIQEUPGKJLSQ-UHFFFAOYSA-N
XLogP0.54
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(oxolan-3-yl)pyrazole-4-carboxylic acid (CID 63935785) is 1-(oxolan-3-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(oxolan-3-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(oxolan-3-yl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(C2CCOC2)c1.
What is the InChIKey of 1-(oxolan-3-yl)pyrazole-4-carboxylic acid?
The InChIKey is WJXIQEUPGKJLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-8(12)6-3-9-10(4-6)7-1-2-13-5-7/h3-4,7H,1-2,5H2,(H,11,12).
What are the key properties of 1-(oxolan-3-yl)pyrazole-4-carboxylic acid?
1-(oxolan-3-yl)pyrazole-4-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 63935785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).