5-(3-bromothiophen-2-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine

C13H9BrFN3S — CID 63798283

IUPAC5-(3-bromothiophen-2-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2sccc2Br)c1-c1ccc(F)cc1
InChIInChI=1S/C13H9BrFN3S/c14-9-5-6-19-12(9)11-10(13(16)18-17-11)7-1-3-8(15)4-2-7/h1-6H,(H3,16,17,18)
InChIKeyUDMWQFKDAZFKFU-UHFFFAOYSA-N
MW338.21 g/mol
LogP4.29
Rot. Bonds2

About 5-(3-bromothiophen-2-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine

5-(3-bromothiophen-2-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine (PubChem CID 63798283) has the molecular formula C13H9BrFN3S and a molecular weight of 338.21 g/mol. Its IUPAC name is 5-(3-bromothiophen-2-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-bromothiophen-2-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine
PubChem CID63798283
Molecular FormulaC13H9BrFN3S
Molecular Weight338.21 g/mol
Exact Mass336.97
IUPAC Name5-(3-bromothiophen-2-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2sccc2Br)c1-c1ccc(F)cc1
InChIInChI=1S/C13H9BrFN3S/c14-9-5-6-19-12(9)11-10(13(16)18-17-11)7-1-3-8(15)4-2-7/h1-6H,(H3,16,17,18)
InChIKeyUDMWQFKDAZFKFU-UHFFFAOYSA-N
XLogP4.29
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromothiophen-2-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-bromothiophen-2-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine (CID 63798283) is 5-(3-bromothiophen-2-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-bromothiophen-2-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-bromothiophen-2-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2sccc2Br)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(3-bromothiophen-2-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine?
The InChIKey is UDMWQFKDAZFKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3S/c14-9-5-6-19-12(9)11-10(13(16)18-17-11)7-1-3-8(15)4-2-7/h1-6H,(H3,16,17,18).
What are the key properties of 5-(3-bromothiophen-2-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine?
5-(3-bromothiophen-2-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine has a molecular weight of 338.21 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromothiophen-2-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 63798283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).