(4-fluoro-1H-pyrazol-5-yl)-thiophen-2-ylmethanone

C8H5FN2OS — CID 135053389

IUPAC(4-fluoro-1H-pyrazol-5-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1[nH]ncc1F
InChIInChI=1S/C8H5FN2OS/c9-5-4-10-11-7(5)8(12)6-2-1-3-13-6/h1-4H,(H,10,11)
InChIKeySYORHASRCGARMZ-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.84
Rot. Bonds2

About (4-fluoro-1H-pyrazol-5-yl)-thiophen-2-ylmethanone

(4-fluoro-1H-pyrazol-5-yl)-thiophen-2-ylmethanone (PubChem CID 135053389) has the molecular formula C8H5FN2OS and a molecular weight of 196.21 g/mol. Its IUPAC name is (4-fluoro-1H-pyrazol-5-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-fluoro-1H-pyrazol-5-yl)-thiophen-2-ylmethanone
PubChem CID135053389
Molecular FormulaC8H5FN2OS
Molecular Weight196.21 g/mol
Exact Mass196.01
IUPAC Name(4-fluoro-1H-pyrazol-5-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1[nH]ncc1F
InChIInChI=1S/C8H5FN2OS/c9-5-4-10-11-7(5)8(12)6-2-1-3-13-6/h1-4H,(H,10,11)
InChIKeySYORHASRCGARMZ-UHFFFAOYSA-N
XLogP1.84
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone
CID 11550150
(2,4-difluorophenyl)-thiophen-2-ylmethanone
CID 43160742
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915
thiophen-2-yl-(5-thiophen-2-yl-1H-imidazol-2-yl)methanone
CID 10587435
4-bromo-N-[(E)-1-thiophen-2-ylpropylideneamino]-1H-pyrazole-5-carboxamide
CID 40648504
(2-methylthiophen-3-yl)-thiophen-2-ylmethanone
CID 102830577
(2-amino-1,3-oxazol-5-yl)-thiophen-2-ylmethanone
CID 69356874
[5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone
CID 102424317
N-(2-cyanoethyl)-4-(thiophene-2-carbonylamino)-1H-pyrazole-5-carboxamide
CID 68989743
2,4-dimethyl-5-(thiophene-2-carbonyl)-1H-pyrrole-3-carbaldehyde
CID 82390025
CID 11204853
CID 11204853
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1H-pyrazol-5-yl)-thiophen-2-ylmethanone?
The IUPAC name of (4-fluoro-1H-pyrazol-5-yl)-thiophen-2-ylmethanone (CID 135053389) is (4-fluoro-1H-pyrazol-5-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-fluoro-1H-pyrazol-5-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-fluoro-1H-pyrazol-5-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)c1[nH]ncc1F.
What is the InChIKey of (4-fluoro-1H-pyrazol-5-yl)-thiophen-2-ylmethanone?
The InChIKey is SYORHASRCGARMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2OS/c9-5-4-10-11-7(5)8(12)6-2-1-3-13-6/h1-4H,(H,10,11).
What are the key properties of (4-fluoro-1H-pyrazol-5-yl)-thiophen-2-ylmethanone?
(4-fluoro-1H-pyrazol-5-yl)-thiophen-2-ylmethanone has a molecular weight of 196.21 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1H-pyrazol-5-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 135053389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).