(2S)-N-(2-cyclopentylpyrazol-3-yl)oxolane-2-carboxamide

C13H19N3O2 — CID 39965405

IUPAC(2S)-N-(2-cyclopentylpyrazol-3-yl)oxolane-2-carboxamide
SMILESO=C(Nc1ccnn1C1CCCC1)[C@@H]1CCCO1
InChIInChI=1S/C13H19N3O2/c17-13(11-6-3-9-18-11)15-12-7-8-14-16(12)10-4-1-2-5-10/h7-8,10-11H,1-6,9H2,(H,15,17)/t11-/m0/s1
InChIKeyCDKWEUZIBORXAU-NSHDSACASA-N
MW249.31 g/mol
LogP2.12
Rot. Bonds3

About (2S)-N-(2-cyclopentylpyrazol-3-yl)oxolane-2-carboxamide

(2S)-N-(2-cyclopentylpyrazol-3-yl)oxolane-2-carboxamide (PubChem CID 39965405) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2S)-N-(2-cyclopentylpyrazol-3-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-cyclopentylpyrazol-3-yl)oxolane-2-carboxamide
PubChem CID39965405
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2S)-N-(2-cyclopentylpyrazol-3-yl)oxolane-2-carboxamide
SMILESO=C(Nc1ccnn1C1CCCC1)[C@@H]1CCCO1
InChIInChI=1S/C13H19N3O2/c17-13(11-6-3-9-18-11)15-12-7-8-14-16(12)10-4-1-2-5-10/h7-8,10-11H,1-6,9H2,(H,15,17)/t11-/m0/s1
InChIKeyCDKWEUZIBORXAU-NSHDSACASA-N
XLogP2.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyclopentylpyrazol-3-yl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(2-cyclopentylpyrazol-3-yl)oxolane-2-carboxamide (CID 39965405) is (2S)-N-(2-cyclopentylpyrazol-3-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-cyclopentylpyrazol-3-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(2-cyclopentylpyrazol-3-yl)oxolane-2-carboxamide is O=C(Nc1ccnn1C1CCCC1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(2-cyclopentylpyrazol-3-yl)oxolane-2-carboxamide?
The InChIKey is CDKWEUZIBORXAU-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O2/c17-13(11-6-3-9-18-11)15-12-7-8-14-16(12)10-4-1-2-5-10/h7-8,10-11H,1-6,9H2,(H,15,17)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-cyclopentylpyrazol-3-yl)oxolane-2-carboxamide?
(2S)-N-(2-cyclopentylpyrazol-3-yl)oxolane-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-cyclopentylpyrazol-3-yl)oxolane-2-carboxamide is sourced from PubChem (CID 39965405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).