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

C16H13BrFN3 — CID 81460309

IUPAC5-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2[nH]nc(N)c2-c2cccc(F)c2)cc1Br
InChIInChI=1S/C16H13BrFN3/c1-9-5-6-11(8-13(9)17)15-14(16(19)21-20-15)10-3-2-4-12(18)7-10/h2-8H,1H3,(H3,19,20,21)
InChIKeyLBFIGUOYZFDUNC-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.54
Rot. Bonds2

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

5-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)-1H-pyrazol-3-amine (PubChem CID 81460309) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is 5-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)-1H-pyrazol-3-amine
PubChem CID81460309
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name5-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2[nH]nc(N)c2-c2cccc(F)c2)cc1Br
InChIInChI=1S/C16H13BrFN3/c1-9-5-6-11(8-13(9)17)15-14(16(19)21-20-15)10-3-2-4-12(18)7-10/h2-8H,1H3,(H3,19,20,21)
InChIKeyLBFIGUOYZFDUNC-UHFFFAOYSA-N
XLogP4.54
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)-1H-pyrazol-3-amine (CID 81460309) is 5-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)-1H-pyrazol-3-amine is Cc1ccc(-c2[nH]nc(N)c2-c2cccc(F)c2)cc1Br.
What is the InChIKey of 5-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)-1H-pyrazol-3-amine?
The InChIKey is LBFIGUOYZFDUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c1-9-5-6-11(8-13(9)17)15-14(16(19)21-20-15)10-3-2-4-12(18)7-10/h2-8H,1H3,(H3,19,20,21).
What are the key properties of 5-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)-1H-pyrazol-3-amine?
5-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)-1H-pyrazol-3-amine has a molecular weight of 346.20 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 81460309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).