[(3R)-3-thiophen-2-yl-3H-pyrazol-5-yl]methanol

C8H8N2OS — CID 129366043

IUPAC[(3R)-3-thiophen-2-yl-3H-pyrazol-5-yl]methanol
SMILESOCC1=C[C@H](c2cccs2)N=N1
InChIInChI=1S/C8H8N2OS/c11-5-6-4-7(10-9-6)8-2-1-3-12-8/h1-4,7,11H,5H2/t7-/m1/s1
InChIKeyJRJNJRGVXIHIBM-SSDOTTSWSA-N
MW180.23 g/mol
LogP2.13
Rot. Bonds2

About [(3R)-3-thiophen-2-yl-3H-pyrazol-5-yl]methanol

[(3R)-3-thiophen-2-yl-3H-pyrazol-5-yl]methanol (PubChem CID 129366043) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is [(3R)-3-thiophen-2-yl-3H-pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-thiophen-2-yl-3H-pyrazol-5-yl]methanol
PubChem CID129366043
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name[(3R)-3-thiophen-2-yl-3H-pyrazol-5-yl]methanol
SMILESOCC1=C[C@H](c2cccs2)N=N1
InChIInChI=1S/C8H8N2OS/c11-5-6-4-7(10-9-6)8-2-1-3-12-8/h1-4,7,11H,5H2/t7-/m1/s1
InChIKeyJRJNJRGVXIHIBM-SSDOTTSWSA-N
XLogP2.13
TPSA44.95 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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-thiophen-2-yl-3H-pyrazol-5-yl]methanol?
The IUPAC name of [(3R)-3-thiophen-2-yl-3H-pyrazol-5-yl]methanol (CID 129366043) is [(3R)-3-thiophen-2-yl-3H-pyrazol-5-yl]methanol.
What is the SMILES notation for [(3R)-3-thiophen-2-yl-3H-pyrazol-5-yl]methanol?
The canonical SMILES for [(3R)-3-thiophen-2-yl-3H-pyrazol-5-yl]methanol is OCC1=C[C@H](c2cccs2)N=N1.
What is the InChIKey of [(3R)-3-thiophen-2-yl-3H-pyrazol-5-yl]methanol?
The InChIKey is JRJNJRGVXIHIBM-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H8N2OS/c11-5-6-4-7(10-9-6)8-2-1-3-12-8/h1-4,7,11H,5H2/t7-/m1/s1.
What are the key properties of [(3R)-3-thiophen-2-yl-3H-pyrazol-5-yl]methanol?
[(3R)-3-thiophen-2-yl-3H-pyrazol-5-yl]methanol has a molecular weight of 180.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-thiophen-2-yl-3H-pyrazol-5-yl]methanol is sourced from PubChem (CID 129366043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).