1-[5-amino-1-(4-bromophenyl)-3-methylfuro[3,2-d]pyrazol-4-yl]ethanone

C14H12BrN3O2 — CID 84609734

IUPAC1-[5-amino-1-(4-bromophenyl)-3-methylfuro[3,2-d]pyrazol-4-yl]ethanone
SMILESCC(=O)c1c(N)oc2c1c(C)nn2-c1ccc(Br)cc1
InChIInChI=1S/C14H12BrN3O2/c1-7-11-12(8(2)19)13(16)20-14(11)18(17-7)10-5-3-9(15)4-6-10/h3-6H,16H2,1-2H3
InChIKeyGBTZIIDIXSLDFR-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.47
Rot. Bonds2

About 1-[5-amino-1-(4-bromophenyl)-3-methylfuro[3,2-d]pyrazol-4-yl]ethanone

1-[5-amino-1-(4-bromophenyl)-3-methylfuro[3,2-d]pyrazol-4-yl]ethanone (PubChem CID 84609734) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is 1-[5-amino-1-(4-bromophenyl)-3-methylfuro[3,2-d]pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-amino-1-(4-bromophenyl)-3-methylfuro[3,2-d]pyrazol-4-yl]ethanone
PubChem CID84609734
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name1-[5-amino-1-(4-bromophenyl)-3-methylfuro[3,2-d]pyrazol-4-yl]ethanone
SMILESCC(=O)c1c(N)oc2c1c(C)nn2-c1ccc(Br)cc1
InChIInChI=1S/C14H12BrN3O2/c1-7-11-12(8(2)19)13(16)20-14(11)18(17-7)10-5-3-9(15)4-6-10/h3-6H,16H2,1-2H3
InChIKeyGBTZIIDIXSLDFR-UHFFFAOYSA-N
XLogP3.47
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-1-(4-bromophenyl)-3-methylfuro[3,2-d]pyrazol-4-yl]ethanone?
The IUPAC name of 1-[5-amino-1-(4-bromophenyl)-3-methylfuro[3,2-d]pyrazol-4-yl]ethanone (CID 84609734) is 1-[5-amino-1-(4-bromophenyl)-3-methylfuro[3,2-d]pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-amino-1-(4-bromophenyl)-3-methylfuro[3,2-d]pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[5-amino-1-(4-bromophenyl)-3-methylfuro[3,2-d]pyrazol-4-yl]ethanone is CC(=O)c1c(N)oc2c1c(C)nn2-c1ccc(Br)cc1.
What is the InChIKey of 1-[5-amino-1-(4-bromophenyl)-3-methylfuro[3,2-d]pyrazol-4-yl]ethanone?
The InChIKey is GBTZIIDIXSLDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c1-7-11-12(8(2)19)13(16)20-14(11)18(17-7)10-5-3-9(15)4-6-10/h3-6H,16H2,1-2H3.
What are the key properties of 1-[5-amino-1-(4-bromophenyl)-3-methylfuro[3,2-d]pyrazol-4-yl]ethanone?
1-[5-amino-1-(4-bromophenyl)-3-methylfuro[3,2-d]pyrazol-4-yl]ethanone has a molecular weight of 334.17 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-1-(4-bromophenyl)-3-methylfuro[3,2-d]pyrazol-4-yl]ethanone is sourced from PubChem (CID 84609734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).