(2R,5S)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-5-phenyloxolane-2-carboxamide

C19H23N3O3 — CID 126801820

IUPAC(2R,5S)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-5-phenyloxolane-2-carboxamide
SMILESO=C(Nc1cc(C2CCOCC2)[nH]n1)[C@H]1CC[C@@H](c2ccccc2)O1
InChIInChI=1S/C19H23N3O3/c23-19(17-7-6-16(25-17)14-4-2-1-3-5-14)20-18-12-15(21-22-18)13-8-10-24-11-9-13/h1-5,12-13,16-17H,6-11H2,(H2,20,21,22,23)/t16-,17+/m0/s1
InChIKeyTZBSAIOLXFIOHE-DLBZAZTESA-N
MW341.41 g/mol
LogP3.16
Rot. Bonds4

About (2R,5S)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-5-phenyloxolane-2-carboxamide

(2R,5S)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-5-phenyloxolane-2-carboxamide (PubChem CID 126801820) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2R,5S)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-5-phenyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,5S)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-5-phenyloxolane-2-carboxamide
PubChem CID126801820
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(2R,5S)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-5-phenyloxolane-2-carboxamide
SMILESO=C(Nc1cc(C2CCOCC2)[nH]n1)[C@H]1CC[C@@H](c2ccccc2)O1
InChIInChI=1S/C19H23N3O3/c23-19(17-7-6-16(25-17)14-4-2-1-3-5-14)20-18-12-15(21-22-18)13-8-10-24-11-9-13/h1-5,12-13,16-17H,6-11H2,(H2,20,21,22,23)/t16-,17+/m0/s1
InChIKeyTZBSAIOLXFIOHE-DLBZAZTESA-N
XLogP3.16
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-5-phenyloxolane-2-carboxamide?
The IUPAC name of (2R,5S)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-5-phenyloxolane-2-carboxamide (CID 126801820) is (2R,5S)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-5-phenyloxolane-2-carboxamide.
What is the SMILES notation for (2R,5S)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-5-phenyloxolane-2-carboxamide?
The canonical SMILES for (2R,5S)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-5-phenyloxolane-2-carboxamide is O=C(Nc1cc(C2CCOCC2)[nH]n1)[C@H]1CC[C@@H](c2ccccc2)O1.
What is the InChIKey of (2R,5S)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-5-phenyloxolane-2-carboxamide?
The InChIKey is TZBSAIOLXFIOHE-DLBZAZTESA-N. The full InChI is InChI=1S/C19H23N3O3/c23-19(17-7-6-16(25-17)14-4-2-1-3-5-14)20-18-12-15(21-22-18)13-8-10-24-11-9-13/h1-5,12-13,16-17H,6-11H2,(H2,20,21,22,23)/t16-,17+/m0/s1.
What are the key properties of (2R,5S)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-5-phenyloxolane-2-carboxamide?
(2R,5S)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-5-phenyloxolane-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-5-phenyloxolane-2-carboxamide is sourced from PubChem (CID 126801820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).