1-[(3-fluorophenyl)methyl]-3-thiophen-2-ylpyrazol-5-amine

C14H12FN3S — CID 63278845

IUPAC1-[(3-fluorophenyl)methyl]-3-thiophen-2-ylpyrazol-5-amine
SMILESNc1cc(-c2cccs2)nn1Cc1cccc(F)c1
InChIInChI=1S/C14H12FN3S/c15-11-4-1-3-10(7-11)9-18-14(16)8-12(17-18)13-5-2-6-19-13/h1-8H,9,16H2
InChIKeyGIILHPLZBZOZNC-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.38
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-3-thiophen-2-ylpyrazol-5-amine

1-[(3-fluorophenyl)methyl]-3-thiophen-2-ylpyrazol-5-amine (PubChem CID 63278845) has the molecular formula C14H12FN3S and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-thiophen-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-thiophen-2-ylpyrazol-5-amine
PubChem CID63278845
Molecular FormulaC14H12FN3S
Molecular Weight273.34 g/mol
Exact Mass273.07
IUPAC Name1-[(3-fluorophenyl)methyl]-3-thiophen-2-ylpyrazol-5-amine
SMILESNc1cc(-c2cccs2)nn1Cc1cccc(F)c1
InChIInChI=1S/C14H12FN3S/c15-11-4-1-3-10(7-11)9-18-14(16)8-12(17-18)13-5-2-6-19-13/h1-8H,9,16H2
InChIKeyGIILHPLZBZOZNC-UHFFFAOYSA-N
XLogP3.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-thiophen-2-ylpyrazol-5-amine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-thiophen-2-ylpyrazol-5-amine (CID 63278845) is 1-[(3-fluorophenyl)methyl]-3-thiophen-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-thiophen-2-ylpyrazol-5-amine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-thiophen-2-ylpyrazol-5-amine is Nc1cc(-c2cccs2)nn1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-thiophen-2-ylpyrazol-5-amine?
The InChIKey is GIILHPLZBZOZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3S/c15-11-4-1-3-10(7-11)9-18-14(16)8-12(17-18)13-5-2-6-19-13/h1-8H,9,16H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-thiophen-2-ylpyrazol-5-amine?
1-[(3-fluorophenyl)methyl]-3-thiophen-2-ylpyrazol-5-amine has a molecular weight of 273.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-thiophen-2-ylpyrazol-5-amine is sourced from PubChem (CID 63278845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).