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

C16H16BrN3O — CID 65153292

IUPAC4-(3-bromophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
SMILESCc1oc(C)c(-c2[nH]nc(N)c2-c2cccc(Br)c2)c1C
InChIInChI=1S/C16H16BrN3O/c1-8-9(2)21-10(3)13(8)15-14(16(18)20-19-15)11-5-4-6-12(17)7-11/h4-7H,1-3H3,(H3,18,19,20)
InChIKeyYGEKJRNHBGXAAQ-UHFFFAOYSA-N
MW346.23 g/mol
LogP4.61
Rot. Bonds2

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

4-(3-bromophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine (PubChem CID 65153292) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is 4-(3-bromophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
PubChem CID65153292
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name4-(3-bromophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
SMILESCc1oc(C)c(-c2[nH]nc(N)c2-c2cccc(Br)c2)c1C
InChIInChI=1S/C16H16BrN3O/c1-8-9(2)21-10(3)13(8)15-14(16(18)20-19-15)11-5-4-6-12(17)7-11/h4-7H,1-3H3,(H3,18,19,20)
InChIKeyYGEKJRNHBGXAAQ-UHFFFAOYSA-N
XLogP4.61
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 54.61
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-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-bromophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine (CID 65153292) is 4-(3-bromophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-bromophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-bromophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine is Cc1oc(C)c(-c2[nH]nc(N)c2-c2cccc(Br)c2)c1C.
What is the InChIKey of 4-(3-bromophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine?
The InChIKey is YGEKJRNHBGXAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c1-8-9(2)21-10(3)13(8)15-14(16(18)20-19-15)11-5-4-6-12(17)7-11/h4-7H,1-3H3,(H3,18,19,20).
What are the key properties of 4-(3-bromophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine?
4-(3-bromophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine has a molecular weight of 346.23 g/mol, XLogP of 4.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 65153292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).