2-(2-hydroxypropyl)-5-thiophen-2-yl-4H-pyrazol-3-one

C10H12N2O2S — CID 166436042

IUPAC2-(2-hydroxypropyl)-5-thiophen-2-yl-4H-pyrazol-3-one
SMILESCC(O)CN1N=C(c2cccs2)CC1=O
InChIInChI=1S/C10H12N2O2S/c1-7(13)6-12-10(14)5-8(11-12)9-3-2-4-15-9/h2-4,7,13H,5-6H2,1H3
InChIKeyHRBBTOMEJLEZJI-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.07
Rot. Bonds3

About 2-(2-hydroxypropyl)-5-thiophen-2-yl-4H-pyrazol-3-one

2-(2-hydroxypropyl)-5-thiophen-2-yl-4H-pyrazol-3-one (PubChem CID 166436042) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-5-thiophen-2-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-5-thiophen-2-yl-4H-pyrazol-3-one
PubChem CID166436042
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name2-(2-hydroxypropyl)-5-thiophen-2-yl-4H-pyrazol-3-one
SMILESCC(O)CN1N=C(c2cccs2)CC1=O
InChIInChI=1S/C10H12N2O2S/c1-7(13)6-12-10(14)5-8(11-12)9-3-2-4-15-9/h2-4,7,13H,5-6H2,1H3
InChIKeyHRBBTOMEJLEZJI-UHFFFAOYSA-N
XLogP1.07
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-5-thiophen-2-yl-4H-pyrazol-3-one?
The IUPAC name of 2-(2-hydroxypropyl)-5-thiophen-2-yl-4H-pyrazol-3-one (CID 166436042) is 2-(2-hydroxypropyl)-5-thiophen-2-yl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(2-hydroxypropyl)-5-thiophen-2-yl-4H-pyrazol-3-one?
The canonical SMILES for 2-(2-hydroxypropyl)-5-thiophen-2-yl-4H-pyrazol-3-one is CC(O)CN1N=C(c2cccs2)CC1=O.
What is the InChIKey of 2-(2-hydroxypropyl)-5-thiophen-2-yl-4H-pyrazol-3-one?
The InChIKey is HRBBTOMEJLEZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-7(13)6-12-10(14)5-8(11-12)9-3-2-4-15-9/h2-4,7,13H,5-6H2,1H3.
What are the key properties of 2-(2-hydroxypropyl)-5-thiophen-2-yl-4H-pyrazol-3-one?
2-(2-hydroxypropyl)-5-thiophen-2-yl-4H-pyrazol-3-one has a molecular weight of 224.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-5-thiophen-2-yl-4H-pyrazol-3-one is sourced from PubChem (CID 166436042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).