(3-thiophen-3-ylpyrazol-1-yl)methanol

C8H8N2OS — CID 121211936

IUPAC(3-thiophen-3-ylpyrazol-1-yl)methanol
SMILESOCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C8H8N2OS/c11-6-10-3-1-8(9-10)7-2-4-12-5-7/h1-5,11H,6H2
InChIKeyJVWCKVKGFMBVCC-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.56
Rot. Bonds2

About (3-thiophen-3-ylpyrazol-1-yl)methanol

(3-thiophen-3-ylpyrazol-1-yl)methanol (PubChem CID 121211936) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is (3-thiophen-3-ylpyrazol-1-yl)methanol.

Molecular Properties

Compound Name(3-thiophen-3-ylpyrazol-1-yl)methanol
PubChem CID121211936
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name(3-thiophen-3-ylpyrazol-1-yl)methanol
SMILESOCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C8H8N2OS/c11-6-10-3-1-8(9-10)7-2-4-12-5-7/h1-5,11H,6H2
InChIKeyJVWCKVKGFMBVCC-UHFFFAOYSA-N
XLogP1.56
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-thiophen-3-ylpyrazol-1-yl)methanol?
The IUPAC name of (3-thiophen-3-ylpyrazol-1-yl)methanol (CID 121211936) is (3-thiophen-3-ylpyrazol-1-yl)methanol.
What is the SMILES notation for (3-thiophen-3-ylpyrazol-1-yl)methanol?
The canonical SMILES for (3-thiophen-3-ylpyrazol-1-yl)methanol is OCn1ccc(-c2ccsc2)n1.
What is the InChIKey of (3-thiophen-3-ylpyrazol-1-yl)methanol?
The InChIKey is JVWCKVKGFMBVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c11-6-10-3-1-8(9-10)7-2-4-12-5-7/h1-5,11H,6H2.
What are the key properties of (3-thiophen-3-ylpyrazol-1-yl)methanol?
(3-thiophen-3-ylpyrazol-1-yl)methanol has a molecular weight of 180.23 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-thiophen-3-ylpyrazol-1-yl)methanol is sourced from PubChem (CID 121211936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).