2-(1,4-dimethylpyrazol-5-yl)oxolane-2-carboxylic acid

C10H14N2O3 — CID 165487858

IUPAC2-(1,4-dimethylpyrazol-5-yl)oxolane-2-carboxylic acid
SMILESCc1cnn(C)c1C1(C(=O)O)CCCO1
InChIInChI=1S/C10H14N2O3/c1-7-6-11-12(2)8(7)10(9(13)14)4-3-5-15-10/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeySFPWQWKIHLXURK-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.82
Rot. Bonds2

About 2-(1,4-dimethylpyrazol-5-yl)oxolane-2-carboxylic acid

2-(1,4-dimethylpyrazol-5-yl)oxolane-2-carboxylic acid (PubChem CID 165487858) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(1,4-dimethylpyrazol-5-yl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-(1,4-dimethylpyrazol-5-yl)oxolane-2-carboxylic acid
PubChem CID165487858
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(1,4-dimethylpyrazol-5-yl)oxolane-2-carboxylic acid
SMILESCc1cnn(C)c1C1(C(=O)O)CCCO1
InChIInChI=1S/C10H14N2O3/c1-7-6-11-12(2)8(7)10(9(13)14)4-3-5-15-10/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeySFPWQWKIHLXURK-UHFFFAOYSA-N
XLogP0.82
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpyrazol-5-yl)oxolane-2-carboxylic acid?
The IUPAC name of 2-(1,4-dimethylpyrazol-5-yl)oxolane-2-carboxylic acid (CID 165487858) is 2-(1,4-dimethylpyrazol-5-yl)oxolane-2-carboxylic acid.
What is the SMILES notation for 2-(1,4-dimethylpyrazol-5-yl)oxolane-2-carboxylic acid?
The canonical SMILES for 2-(1,4-dimethylpyrazol-5-yl)oxolane-2-carboxylic acid is Cc1cnn(C)c1C1(C(=O)O)CCCO1.
What is the InChIKey of 2-(1,4-dimethylpyrazol-5-yl)oxolane-2-carboxylic acid?
The InChIKey is SFPWQWKIHLXURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7-6-11-12(2)8(7)10(9(13)14)4-3-5-15-10/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-(1,4-dimethylpyrazol-5-yl)oxolane-2-carboxylic acid?
2-(1,4-dimethylpyrazol-5-yl)oxolane-2-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpyrazol-5-yl)oxolane-2-carboxylic acid is sourced from PubChem (CID 165487858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).