N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide

C14H17N3O2S — CID 126824851

IUPACN-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide
SMILESCC(C(=O)N[C@@H]1CCO[C@H]1c1ccn[nH]1)c1cccs1
InChIInChI=1S/C14H17N3O2S/c1-9(12-3-2-8-20-12)14(18)16-10-5-7-19-13(10)11-4-6-15-17-11/h2-4,6,8-10,13H,5,7H2,1H3,(H,15,17)(H,16,18)/t9?,10-,13-/m1/s1
InChIKeySPLCCPOMKIMVSM-SVLLLCHKSA-N
MW291.38 g/mol
LogP2.22
Rot. Bonds4

About N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide

N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide (PubChem CID 126824851) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide
PubChem CID126824851
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide
SMILESCC(C(=O)N[C@@H]1CCO[C@H]1c1ccn[nH]1)c1cccs1
InChIInChI=1S/C14H17N3O2S/c1-9(12-3-2-8-20-12)14(18)16-10-5-7-19-13(10)11-4-6-15-17-11/h2-4,6,8-10,13H,5,7H2,1H3,(H,15,17)(H,16,18)/t9?,10-,13-/m1/s1
InChIKeySPLCCPOMKIMVSM-SVLLLCHKSA-N
XLogP2.22
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide?
The IUPAC name of N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide (CID 126824851) is N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide?
The canonical SMILES for N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide is CC(C(=O)N[C@@H]1CCO[C@H]1c1ccn[nH]1)c1cccs1.
What is the InChIKey of N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide?
The InChIKey is SPLCCPOMKIMVSM-SVLLLCHKSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9(12-3-2-8-20-12)14(18)16-10-5-7-19-13(10)11-4-6-15-17-11/h2-4,6,8-10,13H,5,7H2,1H3,(H,15,17)(H,16,18)/t9?,10-,13-/m1/s1.
What are the key properties of N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide?
N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide has a molecular weight of 291.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 126824851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).