5-(3,5-difluorothiophen-2-yl)-1H-pyrazole

C7H4F2N2S — CID 174420368

IUPAC5-(3,5-difluorothiophen-2-yl)-1H-pyrazole
SMILESFc1cc(F)c(-c2ccn[nH]2)s1
InChIInChI=1S/C7H4F2N2S/c8-4-3-6(9)12-7(4)5-1-2-10-11-5/h1-3H,(H,10,11)
InChIKeyXMHDCNTZFYRDPX-UHFFFAOYSA-N
MW186.19 g/mol
LogP2.42
Rot. Bonds1

About 5-(3,5-difluorothiophen-2-yl)-1H-pyrazole

5-(3,5-difluorothiophen-2-yl)-1H-pyrazole (PubChem CID 174420368) has the molecular formula C7H4F2N2S and a molecular weight of 186.19 g/mol. Its IUPAC name is 5-(3,5-difluorothiophen-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(3,5-difluorothiophen-2-yl)-1H-pyrazole
PubChem CID174420368
Molecular FormulaC7H4F2N2S
Molecular Weight186.19 g/mol
Exact Mass186.01
IUPAC Name5-(3,5-difluorothiophen-2-yl)-1H-pyrazole
SMILESFc1cc(F)c(-c2ccn[nH]2)s1
InChIInChI=1S/C7H4F2N2S/c8-4-3-6(9)12-7(4)5-1-2-10-11-5/h1-3H,(H,10,11)
InChIKeyXMHDCNTZFYRDPX-UHFFFAOYSA-N
XLogP2.42
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorothiophen-2-yl)-1H-pyrazole?
The IUPAC name of 5-(3,5-difluorothiophen-2-yl)-1H-pyrazole (CID 174420368) is 5-(3,5-difluorothiophen-2-yl)-1H-pyrazole.
What is the SMILES notation for 5-(3,5-difluorothiophen-2-yl)-1H-pyrazole?
The canonical SMILES for 5-(3,5-difluorothiophen-2-yl)-1H-pyrazole is Fc1cc(F)c(-c2ccn[nH]2)s1.
What is the InChIKey of 5-(3,5-difluorothiophen-2-yl)-1H-pyrazole?
The InChIKey is XMHDCNTZFYRDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2S/c8-4-3-6(9)12-7(4)5-1-2-10-11-5/h1-3H,(H,10,11).
What are the key properties of 5-(3,5-difluorothiophen-2-yl)-1H-pyrazole?
5-(3,5-difluorothiophen-2-yl)-1H-pyrazole has a molecular weight of 186.19 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorothiophen-2-yl)-1H-pyrazole is sourced from PubChem (CID 174420368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).