5-(4-bromo-2-methylphenyl)-4-fluoro-1H-pyrazol-3-amine

C10H9BrFN3 — CID 165499403

IUPAC5-(4-bromo-2-methylphenyl)-4-fluoro-1H-pyrazol-3-amine
SMILESCc1cc(Br)ccc1-c1[nH]nc(N)c1F
InChIInChI=1S/C10H9BrFN3/c1-5-4-6(11)2-3-7(5)9-8(12)10(13)15-14-9/h2-4H,1H3,(H3,13,14,15)
InChIKeyWDDUVSPUMUNTKL-UHFFFAOYSA-N
MW270.11 g/mol
LogP2.87
Rot. Bonds1

About 5-(4-bromo-2-methylphenyl)-4-fluoro-1H-pyrazol-3-amine

5-(4-bromo-2-methylphenyl)-4-fluoro-1H-pyrazol-3-amine (PubChem CID 165499403) has the molecular formula C10H9BrFN3 and a molecular weight of 270.11 g/mol. Its IUPAC name is 5-(4-bromo-2-methylphenyl)-4-fluoro-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-bromo-2-methylphenyl)-4-fluoro-1H-pyrazol-3-amine
PubChem CID165499403
Molecular FormulaC10H9BrFN3
Molecular Weight270.11 g/mol
Exact Mass269.00
IUPAC Name5-(4-bromo-2-methylphenyl)-4-fluoro-1H-pyrazol-3-amine
SMILESCc1cc(Br)ccc1-c1[nH]nc(N)c1F
InChIInChI=1S/C10H9BrFN3/c1-5-4-6(11)2-3-7(5)9-8(12)10(13)15-14-9/h2-4H,1H3,(H3,13,14,15)
InChIKeyWDDUVSPUMUNTKL-UHFFFAOYSA-N
XLogP2.87
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-bromo-6-methylphenyl)-4-fluoro-1H-pyrazol-3-amine
CID 165499401
5-(2,4-dibromophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 107955079
4-bromo-1-(4-fluorophenyl)-2-methylbenzene
CID 67156128
5-(2,3-difluorophenyl)-4-fluoro-1H-pyrazol-3-amine
CID 165499340
5-(2,4-dibromophenyl)-4-ethyl-1H-pyrazol-3-amine
CID 107955144
1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene
CID 164892527
4-(2-bromophenyl)-5-(2,4-dimethylphenyl)-1H-pyrazol-3-amine
CID 62829643
5-[4-bromo-2-(trifluoromethyl)phenyl]-4-propan-2-yl-1H-pyrazol-3-amine
CID 107332999
3-(4-bromo-2-methylphenyl)-5-chloro-1H-1,2,4-triazole
CID 103084158
5-(2-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-3-amine
CID 81477955
5-(5-bromo-2-methylphenyl)-4-(2-chlorophenyl)-1H-pyrazol-3-amine
CID 65308168
5-bromo-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 61279545

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-methylphenyl)-4-fluoro-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-bromo-2-methylphenyl)-4-fluoro-1H-pyrazol-3-amine (CID 165499403) is 5-(4-bromo-2-methylphenyl)-4-fluoro-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-bromo-2-methylphenyl)-4-fluoro-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-bromo-2-methylphenyl)-4-fluoro-1H-pyrazol-3-amine is Cc1cc(Br)ccc1-c1[nH]nc(N)c1F.
What is the InChIKey of 5-(4-bromo-2-methylphenyl)-4-fluoro-1H-pyrazol-3-amine?
The InChIKey is WDDUVSPUMUNTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3/c1-5-4-6(11)2-3-7(5)9-8(12)10(13)15-14-9/h2-4H,1H3,(H3,13,14,15).
What are the key properties of 5-(4-bromo-2-methylphenyl)-4-fluoro-1H-pyrazol-3-amine?
5-(4-bromo-2-methylphenyl)-4-fluoro-1H-pyrazol-3-amine has a molecular weight of 270.11 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-methylphenyl)-4-fluoro-1H-pyrazol-3-amine is sourced from PubChem (CID 165499403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).