4-(2-bromo-6-fluorophenyl)-1H-pyrazol-5-amine

C9H7BrFN3 — CID 117393162

IUPAC4-(2-bromo-6-fluorophenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1c(F)cccc1Br
InChIInChI=1S/C9H7BrFN3/c10-6-2-1-3-7(11)8(6)5-4-13-14-9(5)12/h1-4H,(H3,12,13,14)
InChIKeyLBXSYTRYOQLZSQ-UHFFFAOYSA-N
MW256.08 g/mol
LogP2.56
Rot. Bonds1

About 4-(2-bromo-6-fluorophenyl)-1H-pyrazol-5-amine

4-(2-bromo-6-fluorophenyl)-1H-pyrazol-5-amine (PubChem CID 117393162) has the molecular formula C9H7BrFN3 and a molecular weight of 256.08 g/mol. Its IUPAC name is 4-(2-bromo-6-fluorophenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-bromo-6-fluorophenyl)-1H-pyrazol-5-amine
PubChem CID117393162
Molecular FormulaC9H7BrFN3
Molecular Weight256.08 g/mol
Exact Mass254.98
IUPAC Name4-(2-bromo-6-fluorophenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1c(F)cccc1Br
InChIInChI=1S/C9H7BrFN3/c10-6-2-1-3-7(11)8(6)5-4-13-14-9(5)12/h1-4H,(H3,12,13,14)
InChIKeyLBXSYTRYOQLZSQ-UHFFFAOYSA-N
XLogP2.56
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.08
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,6-difluoro-3-methylphenyl)-1H-pyrazol-5-amine
CID 117298239
4-(6-bromo-3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 117460558
2-(5-amino-1H-pyrazol-4-yl)-3-fluoro-6-methylphenol
CID 117295542
4-(2-bromo-4,5-difluorophenyl)-1H-pyrazol-5-amine
CID 117437328
1-bromo-3-fluoro-2-(2-fluorophenyl)benzene
CID 125457696
4-(2,6-difluoro-3-methylsulfanylphenyl)-1H-pyrazol-5-amine
CID 117354762
4-(5-bromo-4-fluoro-2-methylphenyl)-1H-pyrazol-5-amine
CID 117428214
4-(7-fluoro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine
CID 112741020
4-(2,6-difluoro-3-methylsulfonylphenyl)-1H-pyrazol-5-amine
CID 117435379
4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3,5-difluorophenol
CID 117468094
4-(3-chloro-2-fluorophenyl)-1H-pyrazol-5-amine
CID 82803223
4-(2-fluoro-4,5-dimethylthiophen-3-yl)-1H-pyrazol-5-amine
CID 70393584

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-6-fluorophenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(2-bromo-6-fluorophenyl)-1H-pyrazol-5-amine (CID 117393162) is 4-(2-bromo-6-fluorophenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(2-bromo-6-fluorophenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(2-bromo-6-fluorophenyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1c(F)cccc1Br.
What is the InChIKey of 4-(2-bromo-6-fluorophenyl)-1H-pyrazol-5-amine?
The InChIKey is LBXSYTRYOQLZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3/c10-6-2-1-3-7(11)8(6)5-4-13-14-9(5)12/h1-4H,(H3,12,13,14).
What are the key properties of 4-(2-bromo-6-fluorophenyl)-1H-pyrazol-5-amine?
4-(2-bromo-6-fluorophenyl)-1H-pyrazol-5-amine has a molecular weight of 256.08 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-6-fluorophenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117393162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).