1-(1-phenylpyrazol-4-yl)-2-thiophen-3-ylethanol

C15H14N2OS — CID 65150532

IUPAC1-(1-phenylpyrazol-4-yl)-2-thiophen-3-ylethanol
SMILESOC(Cc1ccsc1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H14N2OS/c18-15(8-12-6-7-19-11-12)13-9-16-17(10-13)14-4-2-1-3-5-14/h1-7,9-11,15,18H,8H2
InChIKeyAXVHRLCISRGKQL-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.21
Rot. Bonds4

About 1-(1-phenylpyrazol-4-yl)-2-thiophen-3-ylethanol

1-(1-phenylpyrazol-4-yl)-2-thiophen-3-ylethanol (PubChem CID 65150532) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-(1-phenylpyrazol-4-yl)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(1-phenylpyrazol-4-yl)-2-thiophen-3-ylethanol
PubChem CID65150532
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name1-(1-phenylpyrazol-4-yl)-2-thiophen-3-ylethanol
SMILESOC(Cc1ccsc1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H14N2OS/c18-15(8-12-6-7-19-11-12)13-9-16-17(10-13)14-4-2-1-3-5-14/h1-7,9-11,15,18H,8H2
InChIKeyAXVHRLCISRGKQL-UHFFFAOYSA-N
XLogP3.21
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpyrazol-4-yl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(1-phenylpyrazol-4-yl)-2-thiophen-3-ylethanol (CID 65150532) is 1-(1-phenylpyrazol-4-yl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(1-phenylpyrazol-4-yl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(1-phenylpyrazol-4-yl)-2-thiophen-3-ylethanol is OC(Cc1ccsc1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-(1-phenylpyrazol-4-yl)-2-thiophen-3-ylethanol?
The InChIKey is AXVHRLCISRGKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c18-15(8-12-6-7-19-11-12)13-9-16-17(10-13)14-4-2-1-3-5-14/h1-7,9-11,15,18H,8H2.
What are the key properties of 1-(1-phenylpyrazol-4-yl)-2-thiophen-3-ylethanol?
1-(1-phenylpyrazol-4-yl)-2-thiophen-3-ylethanol has a molecular weight of 270.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpyrazol-4-yl)-2-thiophen-3-ylethanol is sourced from PubChem (CID 65150532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).