1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanone

C15H12N2OS — CID 105091060

IUPAC1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H12N2OS/c18-15(10-12-7-9-19-11-12)14-6-8-17(16-14)13-4-2-1-3-5-13/h1-9,11H,10H2
InChIKeyMAQSEKIFAXEVGX-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.36
Rot. Bonds4

About 1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanone

1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanone (PubChem CID 105091060) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanone
PubChem CID105091060
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H12N2OS/c18-15(10-12-7-9-19-11-12)14-6-8-17(16-14)13-4-2-1-3-5-13/h1-9,11H,10H2
InChIKeyMAQSEKIFAXEVGX-UHFFFAOYSA-N
XLogP3.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanone (CID 105091060) is 1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)c1ccn(-c2ccccc2)n1.
What is the InChIKey of 1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanone?
The InChIKey is MAQSEKIFAXEVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c18-15(10-12-7-9-19-11-12)14-6-8-17(16-14)13-4-2-1-3-5-13/h1-9,11H,10H2.
What are the key properties of 1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanone?
1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanone has a molecular weight of 268.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 105091060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).