5-(3,5-difluorothiophen-2-yl)-1H-pyrazole-4-carbonitrile

C8H3F2N3S — CID 174417357

IUPAC5-(3,5-difluorothiophen-2-yl)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1cn[nH]c1-c1sc(F)cc1F
InChIInChI=1S/C8H3F2N3S/c9-5-1-6(10)14-8(5)7-4(2-11)3-12-13-7/h1,3H,(H,12,13)
InChIKeyGTZFSPLOMXQFRD-UHFFFAOYSA-N
MW211.20 g/mol
LogP2.29
Rot. Bonds1

About 5-(3,5-difluorothiophen-2-yl)-1H-pyrazole-4-carbonitrile

5-(3,5-difluorothiophen-2-yl)-1H-pyrazole-4-carbonitrile (PubChem CID 174417357) has the molecular formula C8H3F2N3S and a molecular weight of 211.20 g/mol. Its IUPAC name is 5-(3,5-difluorothiophen-2-yl)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(3,5-difluorothiophen-2-yl)-1H-pyrazole-4-carbonitrile
PubChem CID174417357
Molecular FormulaC8H3F2N3S
Molecular Weight211.20 g/mol
Exact Mass211.00
IUPAC Name5-(3,5-difluorothiophen-2-yl)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1cn[nH]c1-c1sc(F)cc1F
InChIInChI=1S/C8H3F2N3S/c9-5-1-6(10)14-8(5)7-4(2-11)3-12-13-7/h1,3H,(H,12,13)
InChIKeyGTZFSPLOMXQFRD-UHFFFAOYSA-N
XLogP2.29
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorothiophen-2-yl)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-(3,5-difluorothiophen-2-yl)-1H-pyrazole-4-carbonitrile (CID 174417357) is 5-(3,5-difluorothiophen-2-yl)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-(3,5-difluorothiophen-2-yl)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-(3,5-difluorothiophen-2-yl)-1H-pyrazole-4-carbonitrile is N#Cc1cn[nH]c1-c1sc(F)cc1F.
What is the InChIKey of 5-(3,5-difluorothiophen-2-yl)-1H-pyrazole-4-carbonitrile?
The InChIKey is GTZFSPLOMXQFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F2N3S/c9-5-1-6(10)14-8(5)7-4(2-11)3-12-13-7/h1,3H,(H,12,13).
What are the key properties of 5-(3,5-difluorothiophen-2-yl)-1H-pyrazole-4-carbonitrile?
5-(3,5-difluorothiophen-2-yl)-1H-pyrazole-4-carbonitrile has a molecular weight of 211.20 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorothiophen-2-yl)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 174417357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).