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

C14H17N3O2S — CID 71810199

IUPACN-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C14H17N3O2S/c18-14(8-13-2-1-7-20-13)16-11-9-15-17(10-11)12-3-5-19-6-4-12/h1-2,7,9-10,12H,3-6,8H2,(H,16,18)
InChIKeyYNRSTPALUMSPGX-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.48
Rot. Bonds4

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

N-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide (PubChem CID 71810199) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide
PubChem CID71810199
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C14H17N3O2S/c18-14(8-13-2-1-7-20-13)16-11-9-15-17(10-11)12-3-5-19-6-4-12/h1-2,7,9-10,12H,3-6,8H2,(H,16,18)
InChIKeyYNRSTPALUMSPGX-UHFFFAOYSA-N
XLogP2.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide (CID 71810199) is N-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1cnn(C2CCOCC2)c1.
What is the InChIKey of N-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The InChIKey is YNRSTPALUMSPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-14(8-13-2-1-7-20-13)16-11-9-15-17(10-11)12-3-5-19-6-4-12/h1-2,7,9-10,12H,3-6,8H2,(H,16,18).
What are the key properties of N-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide?
N-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide has a molecular weight of 291.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)pyrazol-4-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 71810199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).