3-(5-bromofuran-2-yl)-1-(3-phenylpropyl)pyrazol-5-amine

C16H16BrN3O — CID 63266022

IUPAC3-(5-bromofuran-2-yl)-1-(3-phenylpropyl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Br)o2)nn1CCCc1ccccc1
InChIInChI=1S/C16H16BrN3O/c17-15-9-8-14(21-15)13-11-16(18)20(19-13)10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10,18H2
InChIKeyIJMFPWBBXXCQLG-UHFFFAOYSA-N
MW346.23 g/mol
LogP4.12
Rot. Bonds5

About 3-(5-bromofuran-2-yl)-1-(3-phenylpropyl)pyrazol-5-amine

3-(5-bromofuran-2-yl)-1-(3-phenylpropyl)pyrazol-5-amine (PubChem CID 63266022) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-1-(3-phenylpropyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-1-(3-phenylpropyl)pyrazol-5-amine
PubChem CID63266022
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name3-(5-bromofuran-2-yl)-1-(3-phenylpropyl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Br)o2)nn1CCCc1ccccc1
InChIInChI=1S/C16H16BrN3O/c17-15-9-8-14(21-15)13-11-16(18)20(19-13)10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10,18H2
InChIKeyIJMFPWBBXXCQLG-UHFFFAOYSA-N
XLogP4.12
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromofuran-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-5-amine
CID 63275168
1-benzyl-3-(furan-2-yl)pyrazol-5-amine
CID 15858676
3,5-dibromo-1-(3-phenylpropyl)-1,2,4-triazole
CID 56604593
1-(3-phenylpropyl)indazol-3-amine
CID 62687133
1-pent-4-enyl-3-phenylpyrazol-5-amine
CID 155268730
5-bromo-N-[1-(3-phenylpropyl)benzotriazol-5-yl]furan-2-carboxamide
CID 141419779
3-(5-ethylfuran-2-yl)-1-methylpyrazol-5-amine
CID 79095617
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
[3,5-dimethyl-1-(3-phenylpropyl)pyrazol-4-yl]methanol
CID 43647400
1-benzyl-3-(2,4-dichlorophenyl)pyrazol-5-amine
CID 43381349
2-(3-phenylpropyl)pyrazole-3-carboxylic acid
CID 60780145

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-1-(3-phenylpropyl)pyrazol-5-amine?
The IUPAC name of 3-(5-bromofuran-2-yl)-1-(3-phenylpropyl)pyrazol-5-amine (CID 63266022) is 3-(5-bromofuran-2-yl)-1-(3-phenylpropyl)pyrazol-5-amine.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-1-(3-phenylpropyl)pyrazol-5-amine?
The canonical SMILES for 3-(5-bromofuran-2-yl)-1-(3-phenylpropyl)pyrazol-5-amine is Nc1cc(-c2ccc(Br)o2)nn1CCCc1ccccc1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-1-(3-phenylpropyl)pyrazol-5-amine?
The InChIKey is IJMFPWBBXXCQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c17-15-9-8-14(21-15)13-11-16(18)20(19-13)10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10,18H2.
What are the key properties of 3-(5-bromofuran-2-yl)-1-(3-phenylpropyl)pyrazol-5-amine?
3-(5-bromofuran-2-yl)-1-(3-phenylpropyl)pyrazol-5-amine has a molecular weight of 346.23 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-1-(3-phenylpropyl)pyrazol-5-amine is sourced from PubChem (CID 63266022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).