(2S)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide

C10H15N3O2 — CID 35291348

IUPAC(2S)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCO2)n(C)n1
InChIInChI=1S/C10H15N3O2/c1-7-6-9(13(2)12-7)11-10(14)8-4-3-5-15-8/h6,8H,3-5H2,1-2H3,(H,11,14)/t8-/m0/s1
InChIKeyATYZHWFBFQDEME-QMMMGPOBSA-N
MW209.25 g/mol
LogP0.85
Rot. Bonds2

About (2S)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide

(2S)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide (PubChem CID 35291348) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2S)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide
PubChem CID35291348
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name(2S)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCO2)n(C)n1
InChIInChI=1S/C10H15N3O2/c1-7-6-9(13(2)12-7)11-10(14)8-4-3-5-15-8/h6,8H,3-5H2,1-2H3,(H,11,14)/t8-/m0/s1
InChIKeyATYZHWFBFQDEME-QMMMGPOBSA-N
XLogP0.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide (CID 35291348) is (2S)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide is Cc1cc(NC(=O)[C@@H]2CCCO2)n(C)n1.
What is the InChIKey of (2S)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide?
The InChIKey is ATYZHWFBFQDEME-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-6-9(13(2)12-7)11-10(14)8-4-3-5-15-8/h6,8H,3-5H2,1-2H3,(H,11,14)/t8-/m0/s1.
What are the key properties of (2S)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide?
(2S)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide is sourced from PubChem (CID 35291348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).