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

C14H8F2N4S — CID 156597583

IUPAC3-(2,4-difluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(Nc2ccc(F)cc2F)n[nH]c1-c1cccs1
InChIInChI=1S/C14H8F2N4S/c15-8-3-4-11(10(16)6-8)18-14-9(7-17)13(19-20-14)12-2-1-5-21-12/h1-6H,(H2,18,19,20)
InChIKeyJLGPLZIGWVIQTB-UHFFFAOYSA-N
MW302.31 g/mol
LogP4.03
Rot. Bonds3

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

3-(2,4-difluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile (PubChem CID 156597583) has the molecular formula C14H8F2N4S and a molecular weight of 302.31 g/mol. Its IUPAC name is 3-(2,4-difluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-(2,4-difluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile
PubChem CID156597583
Molecular FormulaC14H8F2N4S
Molecular Weight302.31 g/mol
Exact Mass302.04
IUPAC Name3-(2,4-difluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(Nc2ccc(F)cc2F)n[nH]c1-c1cccs1
InChIInChI=1S/C14H8F2N4S/c15-8-3-4-11(10(16)6-8)18-14-9(7-17)13(19-20-14)12-2-1-5-21-12/h1-6H,(H2,18,19,20)
InChIKeyJLGPLZIGWVIQTB-UHFFFAOYSA-N
XLogP4.03
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-(2,4-difluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile (CID 156597583) is 3-(2,4-difluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-(2,4-difluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-(2,4-difluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile is N#Cc1c(Nc2ccc(F)cc2F)n[nH]c1-c1cccs1.
What is the InChIKey of 3-(2,4-difluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile?
The InChIKey is JLGPLZIGWVIQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N4S/c15-8-3-4-11(10(16)6-8)18-14-9(7-17)13(19-20-14)12-2-1-5-21-12/h1-6H,(H2,18,19,20).
What are the key properties of 3-(2,4-difluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile?
3-(2,4-difluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile has a molecular weight of 302.31 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 156597583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).