1-phenyl-3-thiophen-3-ylpyrazol-5-amine

C13H11N3S — CID 43158972

IUPAC1-phenyl-3-thiophen-3-ylpyrazol-5-amine
SMILESNc1cc(-c2ccsc2)nn1-c1ccccc1
InChIInChI=1S/C13H11N3S/c14-13-8-12(10-6-7-17-9-10)15-16(13)11-4-2-1-3-5-11/h1-9H,14H2
InChIKeyXUTWJZUMWOGOFO-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.18
Rot. Bonds2

About 1-phenyl-3-thiophen-3-ylpyrazol-5-amine

1-phenyl-3-thiophen-3-ylpyrazol-5-amine (PubChem CID 43158972) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-phenyl-3-thiophen-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-phenyl-3-thiophen-3-ylpyrazol-5-amine
PubChem CID43158972
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name1-phenyl-3-thiophen-3-ylpyrazol-5-amine
SMILESNc1cc(-c2ccsc2)nn1-c1ccccc1
InChIInChI=1S/C13H11N3S/c14-13-8-12(10-6-7-17-9-10)15-16(13)11-4-2-1-3-5-11/h1-9H,14H2
InChIKeyXUTWJZUMWOGOFO-UHFFFAOYSA-N
XLogP3.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-thiophen-3-ylpyrazol-5-amine?
The IUPAC name of 1-phenyl-3-thiophen-3-ylpyrazol-5-amine (CID 43158972) is 1-phenyl-3-thiophen-3-ylpyrazol-5-amine.
What is the SMILES notation for 1-phenyl-3-thiophen-3-ylpyrazol-5-amine?
The canonical SMILES for 1-phenyl-3-thiophen-3-ylpyrazol-5-amine is Nc1cc(-c2ccsc2)nn1-c1ccccc1.
What is the InChIKey of 1-phenyl-3-thiophen-3-ylpyrazol-5-amine?
The InChIKey is XUTWJZUMWOGOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c14-13-8-12(10-6-7-17-9-10)15-16(13)11-4-2-1-3-5-11/h1-9H,14H2.
What are the key properties of 1-phenyl-3-thiophen-3-ylpyrazol-5-amine?
1-phenyl-3-thiophen-3-ylpyrazol-5-amine has a molecular weight of 241.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-thiophen-3-ylpyrazol-5-amine is sourced from PubChem (CID 43158972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).