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

C14H9FN4S — CID 156597724

IUPAC3-(4-fluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(Nc2ccc(F)cc2)n[nH]c1-c1cccs1
InChIInChI=1S/C14H9FN4S/c15-9-3-5-10(6-4-9)17-14-11(8-16)13(18-19-14)12-2-1-7-20-12/h1-7H,(H2,17,18,19)
InChIKeyYYRSUJRVMMZNHG-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.89
Rot. Bonds3

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

3-(4-fluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile (PubChem CID 156597724) has the molecular formula C14H9FN4S and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-(4-fluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-(4-fluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile
PubChem CID156597724
Molecular FormulaC14H9FN4S
Molecular Weight284.32 g/mol
Exact Mass284.05
IUPAC Name3-(4-fluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(Nc2ccc(F)cc2)n[nH]c1-c1cccs1
InChIInChI=1S/C14H9FN4S/c15-9-3-5-10(6-4-9)17-14-11(8-16)13(18-19-14)12-2-1-7-20-12/h1-7H,(H2,17,18,19)
InChIKeyYYRSUJRVMMZNHG-UHFFFAOYSA-N
XLogP3.89
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-(4-fluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile (CID 156597724) is 3-(4-fluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-(4-fluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-(4-fluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile is N#Cc1c(Nc2ccc(F)cc2)n[nH]c1-c1cccs1.
What is the InChIKey of 3-(4-fluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile?
The InChIKey is YYRSUJRVMMZNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4S/c15-9-3-5-10(6-4-9)17-14-11(8-16)13(18-19-14)12-2-1-7-20-12/h1-7H,(H2,17,18,19).
What are the key properties of 3-(4-fluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile?
3-(4-fluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile has a molecular weight of 284.32 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 156597724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).