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

C13H8BrF2N3S — CID 107354942

IUPAC3-(4-bromothiophen-2-yl)-1-(2,4-difluorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2ccc(F)cc2F)nc1-c1cc(Br)cs1
InChIInChI=1S/C13H8BrF2N3S/c14-7-3-12(20-6-7)13-10(17)5-19(18-13)11-2-1-8(15)4-9(11)16/h1-6H,17H2
InChIKeyRRSNZNRUIFPDHM-UHFFFAOYSA-N
MW356.20 g/mol
LogP4.22
Rot. Bonds2

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

3-(4-bromothiophen-2-yl)-1-(2,4-difluorophenyl)pyrazol-4-amine (PubChem CID 107354942) has the molecular formula C13H8BrF2N3S and a molecular weight of 356.20 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-1-(2,4-difluorophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-1-(2,4-difluorophenyl)pyrazol-4-amine
PubChem CID107354942
Molecular FormulaC13H8BrF2N3S
Molecular Weight356.20 g/mol
Exact Mass354.96
IUPAC Name3-(4-bromothiophen-2-yl)-1-(2,4-difluorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2ccc(F)cc2F)nc1-c1cc(Br)cs1
InChIInChI=1S/C13H8BrF2N3S/c14-7-3-12(20-6-7)13-10(17)5-19(18-13)11-2-1-8(15)4-9(11)16/h1-6H,17H2
InChIKeyRRSNZNRUIFPDHM-UHFFFAOYSA-N
XLogP4.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.20
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazol-4-amine
CID 83223052
3-(5-bromothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)pyrazol-4-amine
CID 83222654
3-(4-bromothiophen-2-yl)-1-pyridin-2-ylpyrazol-4-amine
CID 107354928
1-(4-fluoro-2-methylphenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83222725
3-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde
CID 107354801
3-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)pyrazol-4-amine
CID 83222348
3-(4-bromothiophen-2-yl)-1-(2-fluorophenyl)pyrazole-4-carboxylic acid
CID 107354900
3-(4-bromothiophen-2-yl)-1-[(4-methylphenyl)methyl]pyrazol-4-amine
CID 107354952
4-bromo-1-(2,4-difluorophenyl)pyrazole-3-carbonitrile
CID 116818890
3-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine
CID 83205248
1-(2,4-dichlorophenyl)-3-(4-fluorophenyl)pyrazol-4-amine
CID 83203120
1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazol-4-amine
CID 83216351

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-1-(2,4-difluorophenyl)pyrazol-4-amine?
The IUPAC name of 3-(4-bromothiophen-2-yl)-1-(2,4-difluorophenyl)pyrazol-4-amine (CID 107354942) is 3-(4-bromothiophen-2-yl)-1-(2,4-difluorophenyl)pyrazol-4-amine.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-1-(2,4-difluorophenyl)pyrazol-4-amine?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-1-(2,4-difluorophenyl)pyrazol-4-amine is Nc1cn(-c2ccc(F)cc2F)nc1-c1cc(Br)cs1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-1-(2,4-difluorophenyl)pyrazol-4-amine?
The InChIKey is RRSNZNRUIFPDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2N3S/c14-7-3-12(20-6-7)13-10(17)5-19(18-13)11-2-1-8(15)4-9(11)16/h1-6H,17H2.
What are the key properties of 3-(4-bromothiophen-2-yl)-1-(2,4-difluorophenyl)pyrazol-4-amine?
3-(4-bromothiophen-2-yl)-1-(2,4-difluorophenyl)pyrazol-4-amine has a molecular weight of 356.20 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-2-yl)-1-(2,4-difluorophenyl)pyrazol-4-amine is sourced from PubChem (CID 107354942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).