4-(3-bromophenyl)-5-(5-ethylfuran-2-yl)-1H-pyrazol-3-amine

C15H14BrN3O — CID 79096350

IUPAC4-(3-bromophenyl)-5-(5-ethylfuran-2-yl)-1H-pyrazol-3-amine
SMILESCCc1ccc(-c2[nH]nc(N)c2-c2cccc(Br)c2)o1
InChIInChI=1S/C15H14BrN3O/c1-2-11-6-7-12(20-11)14-13(15(17)19-18-14)9-4-3-5-10(16)8-9/h3-8H,2H2,1H3,(H3,17,18,19)
InChIKeyKDNPGBLXWWBBLT-UHFFFAOYSA-N
MW332.20 g/mol
LogP4.24
Rot. Bonds3

About 4-(3-bromophenyl)-5-(5-ethylfuran-2-yl)-1H-pyrazol-3-amine

4-(3-bromophenyl)-5-(5-ethylfuran-2-yl)-1H-pyrazol-3-amine (PubChem CID 79096350) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 4-(3-bromophenyl)-5-(5-ethylfuran-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-5-(5-ethylfuran-2-yl)-1H-pyrazol-3-amine
PubChem CID79096350
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name4-(3-bromophenyl)-5-(5-ethylfuran-2-yl)-1H-pyrazol-3-amine
SMILESCCc1ccc(-c2[nH]nc(N)c2-c2cccc(Br)c2)o1
InChIInChI=1S/C15H14BrN3O/c1-2-11-6-7-12(20-11)14-13(15(17)19-18-14)9-4-3-5-10(16)8-9/h3-8H,2H2,1H3,(H3,17,18,19)
InChIKeyKDNPGBLXWWBBLT-UHFFFAOYSA-N
XLogP4.24
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-5-(5-ethylfuran-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-bromophenyl)-5-(5-ethylfuran-2-yl)-1H-pyrazol-3-amine (CID 79096350) is 4-(3-bromophenyl)-5-(5-ethylfuran-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-bromophenyl)-5-(5-ethylfuran-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-bromophenyl)-5-(5-ethylfuran-2-yl)-1H-pyrazol-3-amine is CCc1ccc(-c2[nH]nc(N)c2-c2cccc(Br)c2)o1.
What is the InChIKey of 4-(3-bromophenyl)-5-(5-ethylfuran-2-yl)-1H-pyrazol-3-amine?
The InChIKey is KDNPGBLXWWBBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-2-11-6-7-12(20-11)14-13(15(17)19-18-14)9-4-3-5-10(16)8-9/h3-8H,2H2,1H3,(H3,17,18,19).
What are the key properties of 4-(3-bromophenyl)-5-(5-ethylfuran-2-yl)-1H-pyrazol-3-amine?
4-(3-bromophenyl)-5-(5-ethylfuran-2-yl)-1H-pyrazol-3-amine has a molecular weight of 332.20 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-5-(5-ethylfuran-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 79096350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).