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

C18H17BrN2O3 — CID 5166959

IUPAC[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1N=C(c2ccc(Br)cc2)CC1c1ccco1
InChIInChI=1S/C18H17BrN2O3/c19-13-7-5-12(6-8-13)14-11-15(16-3-1-9-23-16)21(20-14)18(22)17-4-2-10-24-17/h1,3,5-9,15,17H,2,4,10-11H2
InChIKeyWDHDVNAYHSVIOF-UHFFFAOYSA-N
MW389.25 g/mol
LogP3.90
Rot. Bonds3

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

[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone (PubChem CID 5166959) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is [5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone
PubChem CID5166959
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1N=C(c2ccc(Br)cc2)CC1c1ccco1
InChIInChI=1S/C18H17BrN2O3/c19-13-7-5-12(6-8-13)14-11-15(16-3-1-9-23-16)21(20-14)18(22)17-4-2-10-24-17/h1,3,5-9,15,17H,2,4,10-11H2
InChIKeyWDHDVNAYHSVIOF-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

[5-(3,4-Dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 2952169
Furan-2-yl-[3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 2963372
(3-(4-chlorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(furan-2-yl)methanone
CID 3248551
1-(5-(furan-2-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)propan-1-one
CID 3831781
1-(5-(furan-2-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 2951698
5-(4-bromophenyl)-3-(5-methyl-2-furyl)-1-propionyl-4,5-dihydro-1H-pyrazole
CID 2958957
(5-bromofuran-2-yl)(5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
CID 3113152
(5-(furan-2-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)(tetrahydrofuran-2-yl)methanone
CID 3153481
(3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(furan-2-yl)methanone
CID 3457487
3-(4-bromophenyl)-1-(2-furoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 4463586
N-(2-{(2E)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl}-2-oxoethyl)furan-2-carboxamide (non-preferred name)
CID 9668600
[7-[(4-Bromophenyl)methyl]-3-(4-chlorophenyl)-1-oxa-2,7,8-triazaspiro[4.4]non-2-en-8-yl]-(furan-2-yl)methanone
CID 46904992

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone (CID 5166959) is [5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1N=C(c2ccc(Br)cc2)CC1c1ccco1.
What is the InChIKey of [5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone?
The InChIKey is WDHDVNAYHSVIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c19-13-7-5-12(6-8-13)14-11-15(16-3-1-9-23-16)21(20-14)18(22)17-4-2-10-24-17/h1,3,5-9,15,17H,2,4,10-11H2.
What are the key properties of [5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone?
[5-(4-bromophenyl)-3-(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 [5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 5166959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).