3-(4-bromo-2-fluorophenyl)-1-(3-fluorophenyl)pyrazol-4-amine

C15H10BrF2N3 — CID 83204612

IUPAC3-(4-bromo-2-fluorophenyl)-1-(3-fluorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2cccc(F)c2)nc1-c1ccc(Br)cc1F
InChIInChI=1S/C15H10BrF2N3/c16-9-4-5-12(13(18)6-9)15-14(19)8-21(20-15)11-3-1-2-10(17)7-11/h1-8H,19H2
InChIKeyLSVQMOIBAYWACA-UHFFFAOYSA-N
MW350.17 g/mol
LogP4.16
Rot. Bonds2

About 3-(4-bromo-2-fluorophenyl)-1-(3-fluorophenyl)pyrazol-4-amine

3-(4-bromo-2-fluorophenyl)-1-(3-fluorophenyl)pyrazol-4-amine (PubChem CID 83204612) has the molecular formula C15H10BrF2N3 and a molecular weight of 350.17 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)-1-(3-fluorophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)-1-(3-fluorophenyl)pyrazol-4-amine
PubChem CID83204612
Molecular FormulaC15H10BrF2N3
Molecular Weight350.17 g/mol
Exact Mass349.00
IUPAC Name3-(4-bromo-2-fluorophenyl)-1-(3-fluorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2cccc(F)c2)nc1-c1ccc(Br)cc1F
InChIInChI=1S/C15H10BrF2N3/c16-9-4-5-12(13(18)6-9)15-14(19)8-21(20-15)11-3-1-2-10(17)7-11/h1-8H,19H2
InChIKeyLSVQMOIBAYWACA-UHFFFAOYSA-N
XLogP4.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylaniline
CID 66560343
N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methyl]-4-fluoroaniline
CID 70692668
1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine
CID 57416965
[(Z)-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea
CID 5532506
4-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-3-(4-fluorophenyl)-1-phenylpyrazole
CID 57394185
4-bromo-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 66560258
4-bromo-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 66560259
N-[[1-(4-bromophenyl)-3-(o-tolyl)pyrazol-4-yl]methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 72547294
N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 118736303
4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]aniline
CID 118736304
4-bromo-N-[[1-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]aniline
CID 118736305
1-(4-bromophenyl)-5-phenyl-1H-1,2,3-triazole
CID 13949185

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenyl)-1-(3-fluorophenyl)pyrazol-4-amine?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)-1-(3-fluorophenyl)pyrazol-4-amine (CID 83204612) is 3-(4-bromo-2-fluorophenyl)-1-(3-fluorophenyl)pyrazol-4-amine.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)-1-(3-fluorophenyl)pyrazol-4-amine?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)-1-(3-fluorophenyl)pyrazol-4-amine is Nc1cn(-c2cccc(F)c2)nc1-c1ccc(Br)cc1F.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)-1-(3-fluorophenyl)pyrazol-4-amine?
The InChIKey is LSVQMOIBAYWACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2N3/c16-9-4-5-12(13(18)6-9)15-14(19)8-21(20-15)11-3-1-2-10(17)7-11/h1-8H,19H2.
What are the key properties of 3-(4-bromo-2-fluorophenyl)-1-(3-fluorophenyl)pyrazol-4-amine?
3-(4-bromo-2-fluorophenyl)-1-(3-fluorophenyl)pyrazol-4-amine has a molecular weight of 350.17 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenyl)-1-(3-fluorophenyl)pyrazol-4-amine is sourced from PubChem (CID 83204612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).