4-bromo-N-[4-(4-fluoro-3-methylphenyl)phenyl]-1-methylpyrazol-5-amine

C17H15BrFN3 — CID 11508765

IUPAC4-bromo-N-[4-(4-fluoro-3-methylphenyl)phenyl]-1-methylpyrazol-5-amine
SMILESCc1cc(-c2ccc(Nc3c(Br)cnn3C)cc2)ccc1F
InChIInChI=1S/C17H15BrFN3/c1-11-9-13(5-8-16(11)19)12-3-6-14(7-4-12)21-17-15(18)10-20-22(17)2/h3-10,21H,1-2H3
InChIKeyTYWZMHDWDKKXMI-UHFFFAOYSA-N
MW360.23 g/mol
LogP5.04
Rot. Bonds3

About 4-bromo-N-[4-(4-fluoro-3-methylphenyl)phenyl]-1-methylpyrazol-5-amine

4-bromo-N-[4-(4-fluoro-3-methylphenyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 11508765) has the molecular formula C17H15BrFN3 and a molecular weight of 360.23 g/mol. Its IUPAC name is 4-bromo-N-[4-(4-fluoro-3-methylphenyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-N-[4-(4-fluoro-3-methylphenyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID11508765
Molecular FormulaC17H15BrFN3
Molecular Weight360.23 g/mol
Exact Mass359.04
IUPAC Name4-bromo-N-[4-(4-fluoro-3-methylphenyl)phenyl]-1-methylpyrazol-5-amine
SMILESCc1cc(-c2ccc(Nc3c(Br)cnn3C)cc2)ccc1F
InChIInChI=1S/C17H15BrFN3/c1-11-9-13(5-8-16(11)19)12-3-6-14(7-4-12)21-17-15(18)10-20-22(17)2/h3-10,21H,1-2H3
InChIKeyTYWZMHDWDKKXMI-UHFFFAOYSA-N
XLogP5.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.23
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(4-fluoro-3-methylphenyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-bromo-N-[4-(4-fluoro-3-methylphenyl)phenyl]-1-methylpyrazol-5-amine (CID 11508765) is 4-bromo-N-[4-(4-fluoro-3-methylphenyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-bromo-N-[4-(4-fluoro-3-methylphenyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-bromo-N-[4-(4-fluoro-3-methylphenyl)phenyl]-1-methylpyrazol-5-amine is Cc1cc(-c2ccc(Nc3c(Br)cnn3C)cc2)ccc1F.
What is the InChIKey of 4-bromo-N-[4-(4-fluoro-3-methylphenyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is TYWZMHDWDKKXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN3/c1-11-9-13(5-8-16(11)19)12-3-6-14(7-4-12)21-17-15(18)10-20-22(17)2/h3-10,21H,1-2H3.
What are the key properties of 4-bromo-N-[4-(4-fluoro-3-methylphenyl)phenyl]-1-methylpyrazol-5-amine?
4-bromo-N-[4-(4-fluoro-3-methylphenyl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 360.23 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(4-fluoro-3-methylphenyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 11508765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).