[3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone

C18H17BrN2O3 — CID 75454350

IUPAC[3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1N=C(c2ccco2)CC1c1cccc(Br)c1
InChIInChI=1S/C18H17BrN2O3/c19-13-5-1-4-12(10-13)15-11-14(16-6-2-8-23-16)20-21(15)18(22)17-7-3-9-24-17/h1-2,4-6,8,10,15,17H,3,7,9,11H2
InChIKeyOIZSMYALCXNHLL-UHFFFAOYSA-N
MW389.25 g/mol
LogP3.90
Rot. Bonds3

About [3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone

[3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone (PubChem CID 75454350) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is [3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone
PubChem CID75454350
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name[3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1N=C(c2ccco2)CC1c1cccc(Br)c1
InChIInChI=1S/C18H17BrN2O3/c19-13-5-1-4-12(10-13)15-11-14(16-6-2-8-23-16)20-21(15)18(22)17-7-3-9-24-17/h1-2,4-6,8,10,15,17H,3,7,9,11H2
InChIKeyOIZSMYALCXNHLL-UHFFFAOYSA-N
XLogP3.90
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-cyclohexylmethanone
CID 99798567
1-[(3R)-3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 97092958
1-[3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-methylbutan-1-one
CID 86807245
1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 86820159
[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 75510830
[5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 71779741
N-[3-[2-acetyl-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]acetamide
CID 75510806
2-chloro-1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 119053141
N-[3-[(3R)-5-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide
CID 99798504
[5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
CID 75454349
1-[5-(furan-2-yl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 53317215
5-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
CID 119038830

Frequently Asked Questions

What is the IUPAC name of [3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone (CID 75454350) is [3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1N=C(c2ccco2)CC1c1cccc(Br)c1.
What is the InChIKey of [3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone?
The InChIKey is OIZSMYALCXNHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c19-13-5-1-4-12(10-13)15-11-14(16-6-2-8-23-16)20-21(15)18(22)17-7-3-9-24-17/h1-2,4-6,8,10,15,17H,3,7,9,11H2.
What are the key properties of [3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone?
[3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone has a molecular weight of 389.25 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 75454350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).