4-ethyl-5-(6-fluoro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine

C13H12FN3S — CID 81105153

IUPAC4-ethyl-5-(6-fluoro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine
SMILESCCc1c(N)n[nH]c1-c1cc2ccc(F)cc2s1
InChIInChI=1S/C13H12FN3S/c1-2-9-12(16-17-13(9)15)11-5-7-3-4-8(14)6-10(7)18-11/h3-6H,2H2,1H3,(H3,15,16,17)
InChIKeyOKGSQHHBIURWNF-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.58
Rot. Bonds2

About 4-ethyl-5-(6-fluoro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine

4-ethyl-5-(6-fluoro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine (PubChem CID 81105153) has the molecular formula C13H12FN3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-ethyl-5-(6-fluoro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-ethyl-5-(6-fluoro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine
PubChem CID81105153
Molecular FormulaC13H12FN3S
Molecular Weight261.32 g/mol
Exact Mass261.07
IUPAC Name4-ethyl-5-(6-fluoro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine
SMILESCCc1c(N)n[nH]c1-c1cc2ccc(F)cc2s1
InChIInChI=1S/C13H12FN3S/c1-2-9-12(16-17-13(9)15)11-5-7-3-4-8(14)6-10(7)18-11/h3-6H,2H2,1H3,(H3,15,16,17)
InChIKeyOKGSQHHBIURWNF-UHFFFAOYSA-N
XLogP3.58
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(6-fluoro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-ethyl-5-(6-fluoro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine (CID 81105153) is 4-ethyl-5-(6-fluoro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-ethyl-5-(6-fluoro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-ethyl-5-(6-fluoro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine is CCc1c(N)n[nH]c1-c1cc2ccc(F)cc2s1.
What is the InChIKey of 4-ethyl-5-(6-fluoro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine?
The InChIKey is OKGSQHHBIURWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3S/c1-2-9-12(16-17-13(9)15)11-5-7-3-4-8(14)6-10(7)18-11/h3-6H,2H2,1H3,(H3,15,16,17).
What are the key properties of 4-ethyl-5-(6-fluoro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine?
4-ethyl-5-(6-fluoro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine has a molecular weight of 261.32 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(6-fluoro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 81105153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).