(1-methylpyrazol-4-yl) oxolane-2-carboxylate

C9H12N2O3 — CID 175201129

IUPAC(1-methylpyrazol-4-yl) oxolane-2-carboxylate
SMILESCn1cc(OC(=O)C2CCCO2)cn1
InChIInChI=1S/C9H12N2O3/c1-11-6-7(5-10-11)14-9(12)8-3-2-4-13-8/h5-6,8H,2-4H2,1H3
InChIKeyGMLKRGBMWPQALR-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.50
Rot. Bonds2

About (1-methylpyrazol-4-yl) oxolane-2-carboxylate

(1-methylpyrazol-4-yl) oxolane-2-carboxylate (PubChem CID 175201129) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl) oxolane-2-carboxylate.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl) oxolane-2-carboxylate
PubChem CID175201129
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name(1-methylpyrazol-4-yl) oxolane-2-carboxylate
SMILESCn1cc(OC(=O)C2CCCO2)cn1
InChIInChI=1S/C9H12N2O3/c1-11-6-7(5-10-11)14-9(12)8-3-2-4-13-8/h5-6,8H,2-4H2,1H3
InChIKeyGMLKRGBMWPQALR-UHFFFAOYSA-N
XLogP0.50
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl) oxolane-2-carboxylate?
The IUPAC name of (1-methylpyrazol-4-yl) oxolane-2-carboxylate (CID 175201129) is (1-methylpyrazol-4-yl) oxolane-2-carboxylate.
What is the SMILES notation for (1-methylpyrazol-4-yl) oxolane-2-carboxylate?
The canonical SMILES for (1-methylpyrazol-4-yl) oxolane-2-carboxylate is Cn1cc(OC(=O)C2CCCO2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl) oxolane-2-carboxylate?
The InChIKey is GMLKRGBMWPQALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-11-6-7(5-10-11)14-9(12)8-3-2-4-13-8/h5-6,8H,2-4H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl) oxolane-2-carboxylate?
(1-methylpyrazol-4-yl) oxolane-2-carboxylate has a molecular weight of 196.21 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl) oxolane-2-carboxylate is sourced from PubChem (CID 175201129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).