3-(4-bromo-2-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine

C17H16BrN3 — CID 43629973

IUPAC3-(4-bromo-2-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
SMILESCc1cc(Br)ccc1-c1nn(C)c(N)c1-c1ccccc1
InChIInChI=1S/C17H16BrN3/c1-11-10-13(18)8-9-14(11)16-15(17(19)21(2)20-16)12-6-4-3-5-7-12/h3-10H,19H2,1-2H3
InChIKeyRKVYCJHUGSIXPF-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.41
Rot. Bonds2

About 3-(4-bromo-2-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine

3-(4-bromo-2-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine (PubChem CID 43629973) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is 3-(4-bromo-2-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-bromo-2-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
PubChem CID43629973
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC Name3-(4-bromo-2-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
SMILESCc1cc(Br)ccc1-c1nn(C)c(N)c1-c1ccccc1
InChIInChI=1S/C17H16BrN3/c1-11-10-13(18)8-9-14(11)16-15(17(19)21(2)20-16)12-6-4-3-5-7-12/h3-10H,19H2,1-2H3
InChIKeyRKVYCJHUGSIXPF-UHFFFAOYSA-N
XLogP4.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-4-methylthiophen-2-yl)-1-methyl-4-phenylpyrazol-5-amine
CID 79990533
3-(2,3-dimethylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336371
3-(2-bromo-5-fluorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336374
3-(2,4-dimethylphenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
CID 80525113
4-(4-bromophenyl)-3-(2-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336413
4-(3-bromophenyl)-3-(2-iodophenyl)-1-methylpyrazol-5-amine
CID 43560840
3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336493
3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 81317120
3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336366
1-methyl-3-(1-methylimidazol-4-yl)-4-phenylpyrazol-5-amine
CID 107972517
4-(4-bromophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine
CID 114821046
4-(3-bromophenyl)-3-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43560827

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine?
The IUPAC name of 3-(4-bromo-2-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine (CID 43629973) is 3-(4-bromo-2-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine.
What is the SMILES notation for 3-(4-bromo-2-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine?
The canonical SMILES for 3-(4-bromo-2-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine is Cc1cc(Br)ccc1-c1nn(C)c(N)c1-c1ccccc1.
What is the InChIKey of 3-(4-bromo-2-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine?
The InChIKey is RKVYCJHUGSIXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c1-11-10-13(18)8-9-14(11)16-15(17(19)21(2)20-16)12-6-4-3-5-7-12/h3-10H,19H2,1-2H3.
What are the key properties of 3-(4-bromo-2-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine?
3-(4-bromo-2-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine has a molecular weight of 342.24 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine is sourced from PubChem (CID 43629973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).