4-(4-fluorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1H-pyrazol-3-amine

C15H10FN3S2 — CID 80734188

IUPAC4-(4-fluorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cc3sccc3s2)c1-c1ccc(F)cc1
InChIInChI=1S/C15H10FN3S2/c16-9-3-1-8(2-4-9)13-14(18-19-15(13)17)12-7-11-10(21-12)5-6-20-11/h1-7H,(H3,17,18,19)
InChIKeyGMULFXYTXGMXOR-UHFFFAOYSA-N
MW315.40 g/mol
LogP4.74
Rot. Bonds2

About 4-(4-fluorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1H-pyrazol-3-amine

4-(4-fluorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1H-pyrazol-3-amine (PubChem CID 80734188) has the molecular formula C15H10FN3S2 and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1H-pyrazol-3-amine
PubChem CID80734188
Molecular FormulaC15H10FN3S2
Molecular Weight315.40 g/mol
Exact Mass315.03
IUPAC Name4-(4-fluorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cc3sccc3s2)c1-c1ccc(F)cc1
InChIInChI=1S/C15H10FN3S2/c16-9-3-1-8(2-4-9)13-14(18-19-15(13)17)12-7-11-10(21-12)5-6-20-11/h1-7H,(H3,17,18,19)
InChIKeyGMULFXYTXGMXOR-UHFFFAOYSA-N
XLogP4.74
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1H-pyrazol-3-amine?
The IUPAC name of 4-(4-fluorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1H-pyrazol-3-amine (CID 80734188) is 4-(4-fluorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(4-fluorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2cc3sccc3s2)c1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1H-pyrazol-3-amine?
The InChIKey is GMULFXYTXGMXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3S2/c16-9-3-1-8(2-4-9)13-14(18-19-15(13)17)12-7-11-10(21-12)5-6-20-11/h1-7H,(H3,17,18,19).
What are the key properties of 4-(4-fluorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1H-pyrazol-3-amine?
4-(4-fluorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1H-pyrazol-3-amine has a molecular weight of 315.40 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 80734188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).