3-(2-bromo-3-methylphenyl)-1-phenylpyrazol-5-amine

C16H14BrN3 — CID 107982713

IUPAC3-(2-bromo-3-methylphenyl)-1-phenylpyrazol-5-amine
SMILESCc1cccc(-c2cc(N)n(-c3ccccc3)n2)c1Br
InChIInChI=1S/C16H14BrN3/c1-11-6-5-9-13(16(11)17)14-10-15(18)20(19-14)12-7-3-2-4-8-12/h2-10H,18H2,1H3
InChIKeyNUVBTNKXINHFRA-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.19
Rot. Bonds2

About 3-(2-bromo-3-methylphenyl)-1-phenylpyrazol-5-amine

3-(2-bromo-3-methylphenyl)-1-phenylpyrazol-5-amine (PubChem CID 107982713) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 3-(2-bromo-3-methylphenyl)-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-bromo-3-methylphenyl)-1-phenylpyrazol-5-amine
PubChem CID107982713
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name3-(2-bromo-3-methylphenyl)-1-phenylpyrazol-5-amine
SMILESCc1cccc(-c2cc(N)n(-c3ccccc3)n2)c1Br
InChIInChI=1S/C16H14BrN3/c1-11-6-5-9-13(16(11)17)14-10-15(18)20(19-14)12-7-3-2-4-8-12/h2-10H,18H2,1H3
InChIKeyNUVBTNKXINHFRA-UHFFFAOYSA-N
XLogP4.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-methylphenyl)-1-phenylpyrazol-5-amine?
The IUPAC name of 3-(2-bromo-3-methylphenyl)-1-phenylpyrazol-5-amine (CID 107982713) is 3-(2-bromo-3-methylphenyl)-1-phenylpyrazol-5-amine.
What is the SMILES notation for 3-(2-bromo-3-methylphenyl)-1-phenylpyrazol-5-amine?
The canonical SMILES for 3-(2-bromo-3-methylphenyl)-1-phenylpyrazol-5-amine is Cc1cccc(-c2cc(N)n(-c3ccccc3)n2)c1Br.
What is the InChIKey of 3-(2-bromo-3-methylphenyl)-1-phenylpyrazol-5-amine?
The InChIKey is NUVBTNKXINHFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c1-11-6-5-9-13(16(11)17)14-10-15(18)20(19-14)12-7-3-2-4-8-12/h2-10H,18H2,1H3.
What are the key properties of 3-(2-bromo-3-methylphenyl)-1-phenylpyrazol-5-amine?
3-(2-bromo-3-methylphenyl)-1-phenylpyrazol-5-amine has a molecular weight of 328.21 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3-methylphenyl)-1-phenylpyrazol-5-amine is sourced from PubChem (CID 107982713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).