(5-aminopyrazol-1-yl)-thiophen-3-ylmethanone

C8H7N3OS — CID 90428340

IUPAC(5-aminopyrazol-1-yl)-thiophen-3-ylmethanone
SMILESNc1ccnn1C(=O)c1ccsc1
InChIInChI=1S/C8H7N3OS/c9-7-1-3-10-11(7)8(12)6-2-4-13-5-6/h1-5H,9H2
InChIKeyOBYALUXEHYWVQW-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.22
Rot. Bonds1

About (5-aminopyrazol-1-yl)-thiophen-3-ylmethanone

(5-aminopyrazol-1-yl)-thiophen-3-ylmethanone (PubChem CID 90428340) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is (5-aminopyrazol-1-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(5-aminopyrazol-1-yl)-thiophen-3-ylmethanone
PubChem CID90428340
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name(5-aminopyrazol-1-yl)-thiophen-3-ylmethanone
SMILESNc1ccnn1C(=O)c1ccsc1
InChIInChI=1S/C8H7N3OS/c9-7-1-3-10-11(7)8(12)6-2-4-13-5-6/h1-5H,9H2
InChIKeyOBYALUXEHYWVQW-UHFFFAOYSA-N
XLogP1.22
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-aminopyrazol-1-yl)-thiophen-3-ylmethanone?
The IUPAC name of (5-aminopyrazol-1-yl)-thiophen-3-ylmethanone (CID 90428340) is (5-aminopyrazol-1-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (5-aminopyrazol-1-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (5-aminopyrazol-1-yl)-thiophen-3-ylmethanone is Nc1ccnn1C(=O)c1ccsc1.
What is the InChIKey of (5-aminopyrazol-1-yl)-thiophen-3-ylmethanone?
The InChIKey is OBYALUXEHYWVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c9-7-1-3-10-11(7)8(12)6-2-4-13-5-6/h1-5H,9H2.
What are the key properties of (5-aminopyrazol-1-yl)-thiophen-3-ylmethanone?
(5-aminopyrazol-1-yl)-thiophen-3-ylmethanone has a molecular weight of 193.23 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminopyrazol-1-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 90428340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).