1-[3-(4-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone

C15H13BrN2O2 — CID 2729938

IUPAC1-[3-(4-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccco2)CC1c1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2O2/c1-10(19)18-14(11-4-6-12(16)7-5-11)9-13(17-18)15-3-2-8-20-15/h2-8,14H,9H2,1H3
InChIKeyIUWLIROZKXRONA-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.74
Rot. Bonds2

About 1-[3-(4-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone

1-[3-(4-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 2729938) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 1-[3-(4-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID2729938
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name1-[3-(4-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccco2)CC1c1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2O2/c1-10(19)18-14(11-4-6-12(16)7-5-11)9-13(17-18)15-3-2-8-20-15/h2-8,14H,9H2,1H3
InChIKeyIUWLIROZKXRONA-UHFFFAOYSA-N
XLogP3.74
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[3-(4-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone (CID 2729938) is 1-[3-(4-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[3-(4-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[3-(4-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1N=C(c2ccco2)CC1c1ccc(Br)cc1.
What is the InChIKey of 1-[3-(4-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is IUWLIROZKXRONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-10(19)18-14(11-4-6-12(16)7-5-11)9-13(17-18)15-3-2-8-20-15/h2-8,14H,9H2,1H3.
What are the key properties of 1-[3-(4-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
1-[3-(4-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 333.19 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 2729938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).