N-[1-(oxolan-3-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide

C13H15N3O2S — CID 71810100

IUPACN-[1-(oxolan-3-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cnn(C2CCOC2)c1
InChIInChI=1S/C13H15N3O2S/c17-13(6-12-2-1-5-19-12)15-10-7-14-16(8-10)11-3-4-18-9-11/h1-2,5,7-8,11H,3-4,6,9H2,(H,15,17)
InChIKeyZSRMDSQJNLQZCQ-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.09
Rot. Bonds4

About N-[1-(oxolan-3-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide

N-[1-(oxolan-3-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide (PubChem CID 71810100) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide
PubChem CID71810100
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-[1-(oxolan-3-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cnn(C2CCOC2)c1
InChIInChI=1S/C13H15N3O2S/c17-13(6-12-2-1-5-19-12)15-10-7-14-16(8-10)11-3-4-18-9-11/h1-2,5,7-8,11H,3-4,6,9H2,(H,15,17)
InChIKeyZSRMDSQJNLQZCQ-UHFFFAOYSA-N
XLogP2.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-(oxolan-3-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide (CID 71810100) is N-[1-(oxolan-3-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-(oxolan-3-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-(oxolan-3-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1cnn(C2CCOC2)c1.
What is the InChIKey of N-[1-(oxolan-3-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The InChIKey is ZSRMDSQJNLQZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c17-13(6-12-2-1-5-19-12)15-10-7-14-16(8-10)11-3-4-18-9-11/h1-2,5,7-8,11H,3-4,6,9H2,(H,15,17).
What are the key properties of N-[1-(oxolan-3-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide?
N-[1-(oxolan-3-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide has a molecular weight of 277.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 71810100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).