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

C13H8BrClFN3O — CID 82802663

IUPAC5-(5-bromofuran-2-yl)-4-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc(Br)o2)c1-c1cccc(Cl)c1F
InChIInChI=1S/C13H8BrClFN3O/c14-9-5-4-8(20-9)12-10(13(17)19-18-12)6-2-1-3-7(15)11(6)16/h1-5H,(H3,17,18,19)
InChIKeyGOLIUUZZAASVHI-UHFFFAOYSA-N
MW356.58 g/mol
LogP4.47
Rot. Bonds2

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

5-(5-bromofuran-2-yl)-4-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine (PubChem CID 82802663) has the molecular formula C13H8BrClFN3O and a molecular weight of 356.58 g/mol. Its IUPAC name is 5-(5-bromofuran-2-yl)-4-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-bromofuran-2-yl)-4-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine
PubChem CID82802663
Molecular FormulaC13H8BrClFN3O
Molecular Weight356.58 g/mol
Exact Mass354.95
IUPAC Name5-(5-bromofuran-2-yl)-4-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc(Br)o2)c1-c1cccc(Cl)c1F
InChIInChI=1S/C13H8BrClFN3O/c14-9-5-4-8(20-9)12-10(13(17)19-18-12)6-2-1-3-7(15)11(6)16/h1-5H,(H3,17,18,19)
InChIKeyGOLIUUZZAASVHI-UHFFFAOYSA-N
XLogP4.47
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromofuran-2-yl)-4-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-bromofuran-2-yl)-4-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine (CID 82802663) is 5-(5-bromofuran-2-yl)-4-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-bromofuran-2-yl)-4-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-bromofuran-2-yl)-4-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccc(Br)o2)c1-c1cccc(Cl)c1F.
What is the InChIKey of 5-(5-bromofuran-2-yl)-4-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine?
The InChIKey is GOLIUUZZAASVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFN3O/c14-9-5-4-8(20-9)12-10(13(17)19-18-12)6-2-1-3-7(15)11(6)16/h1-5H,(H3,17,18,19).
What are the key properties of 5-(5-bromofuran-2-yl)-4-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine?
5-(5-bromofuran-2-yl)-4-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine has a molecular weight of 356.58 g/mol, XLogP of 4.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromofuran-2-yl)-4-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 82802663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).