1-[(2-bromophenyl)methyl]-3-(2-methylphenyl)pyrazol-5-amine

C17H16BrN3 — CID 63276403

IUPAC1-[(2-bromophenyl)methyl]-3-(2-methylphenyl)pyrazol-5-amine
SMILESCc1ccccc1-c1cc(N)n(Cc2ccccc2Br)n1
InChIInChI=1S/C17H16BrN3/c1-12-6-2-4-8-14(12)16-10-17(19)21(20-16)11-13-7-3-5-9-15(13)18/h2-10H,11,19H2,1H3
InChIKeyXSRLNAZADFGKNQ-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.25
Rot. Bonds3

About 1-[(2-bromophenyl)methyl]-3-(2-methylphenyl)pyrazol-5-amine

1-[(2-bromophenyl)methyl]-3-(2-methylphenyl)pyrazol-5-amine (PubChem CID 63276403) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-3-(2-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-3-(2-methylphenyl)pyrazol-5-amine
PubChem CID63276403
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC Name1-[(2-bromophenyl)methyl]-3-(2-methylphenyl)pyrazol-5-amine
SMILESCc1ccccc1-c1cc(N)n(Cc2ccccc2Br)n1
InChIInChI=1S/C17H16BrN3/c1-12-6-2-4-8-14(12)16-10-17(19)21(20-16)11-13-7-3-5-9-15(13)18/h2-10H,11,19H2,1H3
InChIKeyXSRLNAZADFGKNQ-UHFFFAOYSA-N
XLogP4.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-3-(2-methylphenyl)pyrazol-5-amine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-3-(2-methylphenyl)pyrazol-5-amine (CID 63276403) is 1-[(2-bromophenyl)methyl]-3-(2-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-3-(2-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-3-(2-methylphenyl)pyrazol-5-amine is Cc1ccccc1-c1cc(N)n(Cc2ccccc2Br)n1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-3-(2-methylphenyl)pyrazol-5-amine?
The InChIKey is XSRLNAZADFGKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c1-12-6-2-4-8-14(12)16-10-17(19)21(20-16)11-13-7-3-5-9-15(13)18/h2-10H,11,19H2,1H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-3-(2-methylphenyl)pyrazol-5-amine?
1-[(2-bromophenyl)methyl]-3-(2-methylphenyl)pyrazol-5-amine has a molecular weight of 342.24 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-3-(2-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 63276403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).