1-[(2-bromophenyl)methyl]-3-pyridin-2-ylpyrazol-4-amine

C15H13BrN4 — CID 83222254

IUPAC1-[(2-bromophenyl)methyl]-3-pyridin-2-ylpyrazol-4-amine
SMILESNc1cn(Cc2ccccc2Br)nc1-c1ccccn1
InChIInChI=1S/C15H13BrN4/c16-12-6-2-1-5-11(12)9-20-10-13(17)15(19-20)14-7-3-4-8-18-14/h1-8,10H,9,17H2
InChIKeyXMFSLTSXPDNMBN-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.34
Rot. Bonds3

About 1-[(2-bromophenyl)methyl]-3-pyridin-2-ylpyrazol-4-amine

1-[(2-bromophenyl)methyl]-3-pyridin-2-ylpyrazol-4-amine (PubChem CID 83222254) has the molecular formula C15H13BrN4 and a molecular weight of 329.20 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-3-pyridin-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-3-pyridin-2-ylpyrazol-4-amine
PubChem CID83222254
Molecular FormulaC15H13BrN4
Molecular Weight329.20 g/mol
Exact Mass328.03
IUPAC Name1-[(2-bromophenyl)methyl]-3-pyridin-2-ylpyrazol-4-amine
SMILESNc1cn(Cc2ccccc2Br)nc1-c1ccccn1
InChIInChI=1S/C15H13BrN4/c16-12-6-2-1-5-11(12)9-20-10-13(17)15(19-20)14-7-3-4-8-18-14/h1-8,10H,9,17H2
InChIKeyXMFSLTSXPDNMBN-UHFFFAOYSA-N
XLogP3.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-3-pyridin-2-ylpyrazol-4-amine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-3-pyridin-2-ylpyrazol-4-amine (CID 83222254) is 1-[(2-bromophenyl)methyl]-3-pyridin-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-3-pyridin-2-ylpyrazol-4-amine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-3-pyridin-2-ylpyrazol-4-amine is Nc1cn(Cc2ccccc2Br)nc1-c1ccccn1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-3-pyridin-2-ylpyrazol-4-amine?
The InChIKey is XMFSLTSXPDNMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4/c16-12-6-2-1-5-11(12)9-20-10-13(17)15(19-20)14-7-3-4-8-18-14/h1-8,10H,9,17H2.
What are the key properties of 1-[(2-bromophenyl)methyl]-3-pyridin-2-ylpyrazol-4-amine?
1-[(2-bromophenyl)methyl]-3-pyridin-2-ylpyrazol-4-amine has a molecular weight of 329.20 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-3-pyridin-2-ylpyrazol-4-amine is sourced from PubChem (CID 83222254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).