1-(4-bromophenyl)-3-(4-methylphenyl)pyrazol-5-amine

C16H14BrN3 — CID 3586355

IUPAC1-(4-bromophenyl)-3-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-c2cc(N)n(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C16H14BrN3/c1-11-2-4-12(5-3-11)15-10-16(18)20(19-15)14-8-6-13(17)7-9-14/h2-10H,18H2,1H3
InChIKeyGCDJKUDPSTYFAV-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.19
Rot. Bonds2

About 1-(4-bromophenyl)-3-(4-methylphenyl)pyrazol-5-amine

1-(4-bromophenyl)-3-(4-methylphenyl)pyrazol-5-amine (PubChem CID 3586355) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-methylphenyl)pyrazol-5-amine
PubChem CID3586355
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name1-(4-bromophenyl)-3-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-c2cc(N)n(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C16H14BrN3/c1-11-2-4-12(5-3-11)15-10-16(18)20(19-15)14-8-6-13(17)7-9-14/h2-10H,18H2,1H3
InChIKeyGCDJKUDPSTYFAV-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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Related Compounds

Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 775688
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 1478026
3-(3-Methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2060622
3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2517678
3-methyl-1-(3-methylphenyl)-1H-pyrazol-5-amine
CID 936840
1H-Pyrazol-5-amine, 3-methyl-1-(4-methylphenyl)-
CID 112855
3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 854142
1,3-Bis(4-methylphenyl)-1H-pyrazol-5-amine
CID 800457
2-Benzyl-5-(4-bromophenyl)pyrazol-3-amine
CID 693933

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-methylphenyl)pyrazol-5-amine?
The IUPAC name of 1-(4-bromophenyl)-3-(4-methylphenyl)pyrazol-5-amine (CID 3586355) is 1-(4-bromophenyl)-3-(4-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-methylphenyl)pyrazol-5-amine is Cc1ccc(-c2cc(N)n(-c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-methylphenyl)pyrazol-5-amine?
The InChIKey is GCDJKUDPSTYFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c1-11-2-4-12(5-3-11)15-10-16(18)20(19-15)14-8-6-13(17)7-9-14/h2-10H,18H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(4-methylphenyl)pyrazol-5-amine?
1-(4-bromophenyl)-3-(4-methylphenyl)pyrazol-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 1-(4-bromophenyl)-3-(4-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 3586355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).