4-(2-bromo-4-fluorophenyl)-N-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-amine

C16H12BrF2N3 — CID 175441264

IUPAC4-(2-bromo-4-fluorophenyl)-N-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(Nc2ccccc2F)c1-c1ccc(F)cc1Br
InChIInChI=1S/C16H12BrF2N3/c1-9-15(11-7-6-10(18)8-12(11)17)16(22-21-9)20-14-5-3-2-4-13(14)19/h2-8H,1H3,(H2,20,21,22)
InChIKeyPDDLREFLXFZZII-UHFFFAOYSA-N
MW364.19 g/mol
LogP5.17
Rot. Bonds3

About 4-(2-bromo-4-fluorophenyl)-N-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-amine

4-(2-bromo-4-fluorophenyl)-N-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-amine (PubChem CID 175441264) has the molecular formula C16H12BrF2N3 and a molecular weight of 364.19 g/mol. Its IUPAC name is 4-(2-bromo-4-fluorophenyl)-N-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-bromo-4-fluorophenyl)-N-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-amine
PubChem CID175441264
Molecular FormulaC16H12BrF2N3
Molecular Weight364.19 g/mol
Exact Mass363.02
IUPAC Name4-(2-bromo-4-fluorophenyl)-N-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(Nc2ccccc2F)c1-c1ccc(F)cc1Br
InChIInChI=1S/C16H12BrF2N3/c1-9-15(11-7-6-10(18)8-12(11)17)16(22-21-9)20-14-5-3-2-4-13(14)19/h2-8H,1H3,(H2,20,21,22)
InChIKeyPDDLREFLXFZZII-UHFFFAOYSA-N
XLogP5.17
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.19
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-fluorophenyl)-N-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-bromo-4-fluorophenyl)-N-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-amine (CID 175441264) is 4-(2-bromo-4-fluorophenyl)-N-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-bromo-4-fluorophenyl)-N-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-bromo-4-fluorophenyl)-N-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-amine is Cc1[nH]nc(Nc2ccccc2F)c1-c1ccc(F)cc1Br.
What is the InChIKey of 4-(2-bromo-4-fluorophenyl)-N-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-amine?
The InChIKey is PDDLREFLXFZZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF2N3/c1-9-15(11-7-6-10(18)8-12(11)17)16(22-21-9)20-14-5-3-2-4-13(14)19/h2-8H,1H3,(H2,20,21,22).
What are the key properties of 4-(2-bromo-4-fluorophenyl)-N-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-amine?
4-(2-bromo-4-fluorophenyl)-N-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-amine has a molecular weight of 364.19 g/mol, XLogP of 5.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-fluorophenyl)-N-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 175441264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).