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

C13H8BrClFN3S — CID 83217593

IUPAC3-(5-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2ccc(Cl)c(F)c2)nc1-c1ccc(Br)s1
InChIInChI=1S/C13H8BrClFN3S/c14-12-4-3-11(20-12)13-10(17)6-19(18-13)7-1-2-8(15)9(16)5-7/h1-6H,17H2
InChIKeyBISMKMKKPVDIDG-UHFFFAOYSA-N
MW372.65 g/mol
LogP4.74
Rot. Bonds2

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

3-(5-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)pyrazol-4-amine (PubChem CID 83217593) has the molecular formula C13H8BrClFN3S and a molecular weight of 372.65 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)pyrazol-4-amine
PubChem CID83217593
Molecular FormulaC13H8BrClFN3S
Molecular Weight372.65 g/mol
Exact Mass370.93
IUPAC Name3-(5-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2ccc(Cl)c(F)c2)nc1-c1ccc(Br)s1
InChIInChI=1S/C13H8BrClFN3S/c14-12-4-3-11(20-12)13-10(17)6-19(18-13)7-1-2-8(15)9(16)5-7/h1-6H,17H2
InChIKeyBISMKMKKPVDIDG-UHFFFAOYSA-N
XLogP4.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.65
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)pyrazol-4-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)pyrazol-4-amine (CID 83217593) is 3-(5-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)pyrazol-4-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)pyrazol-4-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)pyrazol-4-amine is Nc1cn(-c2ccc(Cl)c(F)c2)nc1-c1ccc(Br)s1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)pyrazol-4-amine?
The InChIKey is BISMKMKKPVDIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFN3S/c14-12-4-3-11(20-12)13-10(17)6-19(18-13)7-1-2-8(15)9(16)5-7/h1-6H,17H2.
What are the key properties of 3-(5-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)pyrazol-4-amine?
3-(5-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)pyrazol-4-amine has a molecular weight of 372.65 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)pyrazol-4-amine is sourced from PubChem (CID 83217593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).