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

C13H8BrClFN3S — CID 63798819

IUPAC5-(3-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2sccc2Br)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C13H8BrClFN3S/c14-8-3-4-20-12(8)11-10(13(17)19-18-11)7-2-1-6(16)5-9(7)15/h1-5H,(H3,17,18,19)
InChIKeyQQIZBSJDVIMUDZ-UHFFFAOYSA-N
MW372.65 g/mol
LogP4.94
Rot. Bonds2

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

5-(3-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-amine (PubChem CID 63798819) has the molecular formula C13H8BrClFN3S and a molecular weight of 372.65 g/mol. Its IUPAC name is 5-(3-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-amine
PubChem CID63798819
Molecular FormulaC13H8BrClFN3S
Molecular Weight372.65 g/mol
Exact Mass370.93
IUPAC Name5-(3-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2sccc2Br)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C13H8BrClFN3S/c14-8-3-4-20-12(8)11-10(13(17)19-18-11)7-2-1-6(16)5-9(7)15/h1-5H,(H3,17,18,19)
InChIKeyQQIZBSJDVIMUDZ-UHFFFAOYSA-N
XLogP4.94
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.65
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-bromothiophen-2-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine
CID 63798283
5-(3-bromothiophen-2-yl)-4-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 63798640
4-(2-chloro-4-fluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine
CID 79803180
5-(3-bromothiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524690
4-(2-chloro-4-fluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine
CID 63036359
5-(4,5-dibromothiophen-2-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
CID 80535112
5-(5-bromothiophen-2-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
CID 64560666
5-(2-bromo-5-fluorophenyl)-4-(2-bromophenyl)-1H-pyrazol-3-amine
CID 62829642
5-(2,5-dichlorothiophen-3-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
CID 107962721
4-(2-chloro-4-fluorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine
CID 63525734
5-(3-chlorothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine
CID 80644038
5-(5-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
CID 66199685

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-amine (CID 63798819) is 5-(3-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2sccc2Br)c1-c1ccc(F)cc1Cl.
What is the InChIKey of 5-(3-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-amine?
The InChIKey is QQIZBSJDVIMUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFN3S/c14-8-3-4-20-12(8)11-10(13(17)19-18-11)7-2-1-6(16)5-9(7)15/h1-5H,(H3,17,18,19).
What are the key properties of 5-(3-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-amine?
5-(3-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-amine has a molecular weight of 372.65 g/mol, XLogP of 4.94, 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-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 63798819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).