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

C15H14BrN3O — CID 63275168

IUPAC3-(5-bromofuran-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-5-amine
SMILESCc1cccc(Cn2nc(-c3ccc(Br)o3)cc2N)c1
InChIInChI=1S/C15H14BrN3O/c1-10-3-2-4-11(7-10)9-19-15(17)8-12(18-19)13-5-6-14(16)20-13/h2-8H,9,17H2,1H3
InChIKeyCDZGYPFIRZMIBS-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.84
Rot. Bonds3

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

3-(5-bromofuran-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-5-amine (PubChem CID 63275168) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-5-amine
PubChem CID63275168
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name3-(5-bromofuran-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-5-amine
SMILESCc1cccc(Cn2nc(-c3ccc(Br)o3)cc2N)c1
InChIInChI=1S/C15H14BrN3O/c1-10-3-2-4-11(7-10)9-19-15(17)8-12(18-19)13-5-6-14(16)20-13/h2-8H,9,17H2,1H3
InChIKeyCDZGYPFIRZMIBS-UHFFFAOYSA-N
XLogP3.84
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromofuran-2-yl)-1-(3-phenylpropyl)pyrazol-5-amine
CID 63266022
1-benzyl-3-(furan-2-yl)pyrazol-5-amine
CID 15858676
1-[(3-bromophenyl)methyl]-5-methylpyrazol-3-amine
CID 63276741
2-[(3-methylphenyl)methyl]-5-propyl-1,2,4-triazol-3-amine
CID 63274880
3-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrazol-5-amine
CID 43471217
3-(5-bromofuran-2-yl)-5-[(3-methylphenyl)methylsulfanyl]-4-propyl-1,2,4-triazole
CID 19724997
3-(4-bromophenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 83205131
5-chloro-1-[(3-methylphenyl)methyl]pyrazole
CID 83241528
3-(3-bromophenyl)-1-propylpyrazol-5-amine
CID 61265517
4-[(3-methylphenyl)methyl]-1,4-oxazine
CID 130223742
3-(5-ethylfuran-2-yl)-1-methylpyrazol-5-amine
CID 79095617
2-[(4-bromophenyl)methyl]-5-methylpyrazol-3-amine
CID 56604539

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-5-amine?
The IUPAC name of 3-(5-bromofuran-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-5-amine (CID 63275168) is 3-(5-bromofuran-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-5-amine.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-5-amine?
The canonical SMILES for 3-(5-bromofuran-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-5-amine is Cc1cccc(Cn2nc(-c3ccc(Br)o3)cc2N)c1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-5-amine?
The InChIKey is CDZGYPFIRZMIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-10-3-2-4-11(7-10)9-19-15(17)8-12(18-19)13-5-6-14(16)20-13/h2-8H,9,17H2,1H3.
What are the key properties of 3-(5-bromofuran-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-5-amine?
3-(5-bromofuran-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-5-amine has a molecular weight of 332.20 g/mol, XLogP of 3.84, 3 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-methylphenyl)methyl]pyrazol-5-amine is sourced from PubChem (CID 63275168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).