1-(3-bromophenyl)-3-(2-methylphenyl)pyrazol-4-amine

C16H14BrN3 — CID 83223068

IUPAC1-(3-bromophenyl)-3-(2-methylphenyl)pyrazol-4-amine
SMILESCc1ccccc1-c1nn(-c2cccc(Br)c2)cc1N
InChIInChI=1S/C16H14BrN3/c1-11-5-2-3-8-14(11)16-15(18)10-20(19-16)13-7-4-6-12(17)9-13/h2-10H,18H2,1H3
InChIKeyGMCMLUINFZLDPF-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.19
Rot. Bonds2

About 1-(3-bromophenyl)-3-(2-methylphenyl)pyrazol-4-amine

1-(3-bromophenyl)-3-(2-methylphenyl)pyrazol-4-amine (PubChem CID 83223068) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(2-methylphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(2-methylphenyl)pyrazol-4-amine
PubChem CID83223068
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name1-(3-bromophenyl)-3-(2-methylphenyl)pyrazol-4-amine
SMILESCc1ccccc1-c1nn(-c2cccc(Br)c2)cc1N
InChIInChI=1S/C16H14BrN3/c1-11-5-2-3-8-14(11)16-15(18)10-20(19-16)13-7-4-6-12(17)9-13/h2-10H,18H2,1H3
InChIKeyGMCMLUINFZLDPF-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 1-(3-bromophenyl)-3-(2-methylphenyl)pyrazol-4-amine?
The IUPAC name of 1-(3-bromophenyl)-3-(2-methylphenyl)pyrazol-4-amine (CID 83223068) is 1-(3-bromophenyl)-3-(2-methylphenyl)pyrazol-4-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-(2-methylphenyl)pyrazol-4-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-(2-methylphenyl)pyrazol-4-amine is Cc1ccccc1-c1nn(-c2cccc(Br)c2)cc1N.
What is the InChIKey of 1-(3-bromophenyl)-3-(2-methylphenyl)pyrazol-4-amine?
The InChIKey is GMCMLUINFZLDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c1-11-5-2-3-8-14(11)16-15(18)10-20(19-16)13-7-4-6-12(17)9-13/h2-10H,18H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-(2-methylphenyl)pyrazol-4-amine?
1-(3-bromophenyl)-3-(2-methylphenyl)pyrazol-4-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-(3-bromophenyl)-3-(2-methylphenyl)pyrazol-4-amine is sourced from PubChem (CID 83223068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).