1-pyrazol-1-yl-3-thiophen-2-ylprop-2-en-1-one

C10H8N2OS — CID 2933536

IUPAC1-pyrazol-1-yl-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1cccs1)n1cccn1
InChIInChI=1S/C10H8N2OS/c13-10(12-7-2-6-11-12)5-4-9-3-1-8-14-9/h1-8H
InChIKeyNKULEHAQFIEXHH-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.30
Rot. Bonds2

About 1-pyrazol-1-yl-3-thiophen-2-ylprop-2-en-1-one

1-pyrazol-1-yl-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 2933536) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is 1-pyrazol-1-yl-3-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-pyrazol-1-yl-3-thiophen-2-ylprop-2-en-1-one
PubChem CID2933536
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name1-pyrazol-1-yl-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1cccs1)n1cccn1
InChIInChI=1S/C10H8N2OS/c13-10(12-7-2-6-11-12)5-4-9-3-1-8-14-9/h1-8H
InChIKeyNKULEHAQFIEXHH-UHFFFAOYSA-N
XLogP2.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-yl-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of 1-pyrazol-1-yl-3-thiophen-2-ylprop-2-en-1-one (CID 2933536) is 1-pyrazol-1-yl-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for 1-pyrazol-1-yl-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for 1-pyrazol-1-yl-3-thiophen-2-ylprop-2-en-1-one is O=C(C=Cc1cccs1)n1cccn1.
What is the InChIKey of 1-pyrazol-1-yl-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is NKULEHAQFIEXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS/c13-10(12-7-2-6-11-12)5-4-9-3-1-8-14-9/h1-8H.
What are the key properties of 1-pyrazol-1-yl-3-thiophen-2-ylprop-2-en-1-one?
1-pyrazol-1-yl-3-thiophen-2-ylprop-2-en-1-one has a molecular weight of 204.25 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-yl-3-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 2933536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).