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

C10H9BrFN3 — CID 117428214

IUPAC4-(5-bromo-4-fluoro-2-methylphenyl)-1H-pyrazol-5-amine
SMILESCc1cc(F)c(Br)cc1-c1cn[nH]c1N
InChIInChI=1S/C10H9BrFN3/c1-5-2-9(12)8(11)3-6(5)7-4-14-15-10(7)13/h2-4H,1H3,(H3,13,14,15)
InChIKeyJJQDQSBOUANVNG-UHFFFAOYSA-N
MW270.11 g/mol
LogP2.87
Rot. Bonds1

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

4-(5-bromo-4-fluoro-2-methylphenyl)-1H-pyrazol-5-amine (PubChem CID 117428214) has the molecular formula C10H9BrFN3 and a molecular weight of 270.11 g/mol. Its IUPAC name is 4-(5-bromo-4-fluoro-2-methylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(5-bromo-4-fluoro-2-methylphenyl)-1H-pyrazol-5-amine
PubChem CID117428214
Molecular FormulaC10H9BrFN3
Molecular Weight270.11 g/mol
Exact Mass269.00
IUPAC Name4-(5-bromo-4-fluoro-2-methylphenyl)-1H-pyrazol-5-amine
SMILESCc1cc(F)c(Br)cc1-c1cn[nH]c1N
InChIInChI=1S/C10H9BrFN3/c1-5-2-9(12)8(11)3-6(5)7-4-14-15-10(7)13/h2-4H,1H3,(H3,13,14,15)
InChIKeyJJQDQSBOUANVNG-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

4-(2-bromo-4,5-difluorophenyl)-1H-pyrazol-5-amine
CID 117437328
4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
CID 117488845
4-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine
CID 117482951
4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine
CID 117298238
4-(2,6-difluoro-3-methylphenyl)-1H-pyrazol-5-amine
CID 117298239
4-[5-(difluoromethyl)-2-methylphenyl]-1H-pyrazol-5-amine
CID 117319233
4-(2-bromo-6-fluorophenyl)-1H-pyrazol-5-amine
CID 117393162
4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine
CID 117383094
4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-5-amine
CID 79630920
2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol
CID 117291747
2-(5-amino-1H-pyrazol-4-yl)-3-fluoro-6-methylphenol
CID 117295542
4-(2-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine
CID 117319576

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-4-fluoro-2-methylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(5-bromo-4-fluoro-2-methylphenyl)-1H-pyrazol-5-amine (CID 117428214) is 4-(5-bromo-4-fluoro-2-methylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(5-bromo-4-fluoro-2-methylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(5-bromo-4-fluoro-2-methylphenyl)-1H-pyrazol-5-amine is Cc1cc(F)c(Br)cc1-c1cn[nH]c1N.
What is the InChIKey of 4-(5-bromo-4-fluoro-2-methylphenyl)-1H-pyrazol-5-amine?
The InChIKey is JJQDQSBOUANVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3/c1-5-2-9(12)8(11)3-6(5)7-4-14-15-10(7)13/h2-4H,1H3,(H3,13,14,15).
What are the key properties of 4-(5-bromo-4-fluoro-2-methylphenyl)-1H-pyrazol-5-amine?
4-(5-bromo-4-fluoro-2-methylphenyl)-1H-pyrazol-5-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 4-(5-bromo-4-fluoro-2-methylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117428214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).