4-fluoro-2-methyl-5-thiophen-2-yl-1H-pyrazol-3-one

C8H7FN2OS — CID 102224523

IUPAC4-fluoro-2-methyl-5-thiophen-2-yl-1H-pyrazol-3-one
SMILESCn1[nH]c(-c2cccs2)c(F)c1=O
InChIInChI=1S/C8H7FN2OS/c1-11-8(12)6(9)7(10-11)5-3-2-4-13-5/h2-4,10H,1H3
InChIKeyBQFUAGPPIKBMOT-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.58
Rot. Bonds1

About 4-fluoro-2-methyl-5-thiophen-2-yl-1H-pyrazol-3-one

4-fluoro-2-methyl-5-thiophen-2-yl-1H-pyrazol-3-one (PubChem CID 102224523) has the molecular formula C8H7FN2OS and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-fluoro-2-methyl-5-thiophen-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-fluoro-2-methyl-5-thiophen-2-yl-1H-pyrazol-3-one
PubChem CID102224523
Molecular FormulaC8H7FN2OS
Molecular Weight198.22 g/mol
Exact Mass198.03
IUPAC Name4-fluoro-2-methyl-5-thiophen-2-yl-1H-pyrazol-3-one
SMILESCn1[nH]c(-c2cccs2)c(F)c1=O
InChIInChI=1S/C8H7FN2OS/c1-11-8(12)6(9)7(10-11)5-3-2-4-13-5/h2-4,10H,1H3
InChIKeyBQFUAGPPIKBMOT-UHFFFAOYSA-N
XLogP1.58
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-5-thiophen-2-yl-1H-pyrazol-3-one?
The IUPAC name of 4-fluoro-2-methyl-5-thiophen-2-yl-1H-pyrazol-3-one (CID 102224523) is 4-fluoro-2-methyl-5-thiophen-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 4-fluoro-2-methyl-5-thiophen-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 4-fluoro-2-methyl-5-thiophen-2-yl-1H-pyrazol-3-one is Cn1[nH]c(-c2cccs2)c(F)c1=O.
What is the InChIKey of 4-fluoro-2-methyl-5-thiophen-2-yl-1H-pyrazol-3-one?
The InChIKey is BQFUAGPPIKBMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2OS/c1-11-8(12)6(9)7(10-11)5-3-2-4-13-5/h2-4,10H,1H3.
What are the key properties of 4-fluoro-2-methyl-5-thiophen-2-yl-1H-pyrazol-3-one?
4-fluoro-2-methyl-5-thiophen-2-yl-1H-pyrazol-3-one has a molecular weight of 198.22 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-5-thiophen-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 102224523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).