1-[5-(5-bromofuran-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine

C9H10BrN3O — CID 104654140

IUPAC1-[5-(5-bromofuran-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn[nH]c1-c1ccc(Br)o1
InChIInChI=1S/C9H10BrN3O/c1-11-4-6-5-12-13-9(6)7-2-3-8(10)14-7/h2-3,5,11H,4H2,1H3,(H,12,13)
InChIKeyZPYSZEGQEQVEIX-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.15
Rot. Bonds3

About 1-[5-(5-bromofuran-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine

1-[5-(5-bromofuran-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine (PubChem CID 104654140) has the molecular formula C9H10BrN3O and a molecular weight of 256.10 g/mol. Its IUPAC name is 1-[5-(5-bromofuran-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(5-bromofuran-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine
PubChem CID104654140
Molecular FormulaC9H10BrN3O
Molecular Weight256.10 g/mol
Exact Mass255.00
IUPAC Name1-[5-(5-bromofuran-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn[nH]c1-c1ccc(Br)o1
InChIInChI=1S/C9H10BrN3O/c1-11-4-6-5-12-13-9(6)7-2-3-8(10)14-7/h2-3,5,11H,4H2,1H3,(H,12,13)
InChIKeyZPYSZEGQEQVEIX-UHFFFAOYSA-N
XLogP2.15
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-bromofuran-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(5-bromofuran-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine (CID 104654140) is 1-[5-(5-bromofuran-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(5-bromofuran-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(5-bromofuran-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine is CNCc1cn[nH]c1-c1ccc(Br)o1.
What is the InChIKey of 1-[5-(5-bromofuran-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is ZPYSZEGQEQVEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O/c1-11-4-6-5-12-13-9(6)7-2-3-8(10)14-7/h2-3,5,11H,4H2,1H3,(H,12,13).
What are the key properties of 1-[5-(5-bromofuran-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine?
1-[5-(5-bromofuran-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 256.10 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-bromofuran-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 104654140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).