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

C13H8BrF2N3S — CID 64560666

IUPAC5-(5-bromothiophen-2-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc(Br)s2)c1-c1ccc(F)cc1F
InChIInChI=1S/C13H8BrF2N3S/c14-10-4-3-9(20-10)12-11(13(17)19-18-12)7-2-1-6(15)5-8(7)16/h1-5H,(H3,17,18,19)
InChIKeyLOQGBKOPTUOOSC-UHFFFAOYSA-N
MW356.20 g/mol
LogP4.43
Rot. Bonds2

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

5-(5-bromothiophen-2-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine (PubChem CID 64560666) has the molecular formula C13H8BrF2N3S and a molecular weight of 356.20 g/mol. Its IUPAC name is 5-(5-bromothiophen-2-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-bromothiophen-2-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
PubChem CID64560666
Molecular FormulaC13H8BrF2N3S
Molecular Weight356.20 g/mol
Exact Mass354.96
IUPAC Name5-(5-bromothiophen-2-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc(Br)s2)c1-c1ccc(F)cc1F
InChIInChI=1S/C13H8BrF2N3S/c14-10-4-3-9(20-10)12-11(13(17)19-18-12)7-2-1-6(15)5-8(7)16/h1-5H,(H3,17,18,19)
InChIKeyLOQGBKOPTUOOSC-UHFFFAOYSA-N
XLogP4.43
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.20
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromothiophen-2-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-bromothiophen-2-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine (CID 64560666) is 5-(5-bromothiophen-2-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-bromothiophen-2-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-bromothiophen-2-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccc(Br)s2)c1-c1ccc(F)cc1F.
What is the InChIKey of 5-(5-bromothiophen-2-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine?
The InChIKey is LOQGBKOPTUOOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2N3S/c14-10-4-3-9(20-10)12-11(13(17)19-18-12)7-2-1-6(15)5-8(7)16/h1-5H,(H3,17,18,19).
What are the key properties of 5-(5-bromothiophen-2-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine?
5-(5-bromothiophen-2-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine has a molecular weight of 356.20 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromothiophen-2-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 64560666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).