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

C16H14BrN3 — CID 43436012

IUPAC3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-5-amine
SMILESCc1cccc(-n2nc(-c3ccc(Br)cc3)cc2N)c1
InChIInChI=1S/C16H14BrN3/c1-11-3-2-4-14(9-11)20-16(18)10-15(19-20)12-5-7-13(17)8-6-12/h2-10H,18H2,1H3
InChIKeyIOBLSHBJVZIAMY-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.19
Rot. Bonds2

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

3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-5-amine (PubChem CID 43436012) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-5-amine
PubChem CID43436012
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-5-amine
SMILESCc1cccc(-n2nc(-c3ccc(Br)cc3)cc2N)c1
InChIInChI=1S/C16H14BrN3/c1-11-3-2-4-14(9-11)20-16(18)10-15(19-20)12-5-7-13(17)8-6-12/h2-10H,18H2,1H3
InChIKeyIOBLSHBJVZIAMY-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

1-(3-bromophenyl)-3-(4-bromophenyl)pyrazol-5-amine
CID 43542754
1-(3,5-dimethylphenyl)-3-(4-methylphenyl)pyrazol-5-amine
CID 43542633
3-[5-amino-3-(4-methylphenyl)pyrazol-1-yl]benzonitrile
CID 43542996
1-(3-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 114798653
3-(3-bromophenyl)-1-(2,4-dimethylphenyl)pyrazol-5-amine
CID 43436058
1-(3-bromophenyl)-3-(3-methoxyphenyl)pyrazol-5-amine
CID 43542770
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-5-amine
CID 1478026
1-(2-methylphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 4598830
1-(4-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 4052140
3-(4-iodophenyl)-1-phenylpyrazol-5-amine
CID 43336728
3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)pyrazol-5-amine
CID 43542636
3-(3-bromophenyl)-1-(3,4-dichlorophenyl)pyrazol-5-amine
CID 43435966

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-5-amine?
The IUPAC name of 3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-5-amine (CID 43436012) is 3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-5-amine is Cc1cccc(-n2nc(-c3ccc(Br)cc3)cc2N)c1.
What is the InChIKey of 3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-5-amine?
The InChIKey is IOBLSHBJVZIAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c1-11-3-2-4-14(9-11)20-16(18)10-15(19-20)12-5-7-13(17)8-6-12/h2-10H,18H2,1H3.
What are the key properties of 3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-5-amine?
3-(4-bromophenyl)-1-(3-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 3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 43436012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).