(5-bromofuran-2-yl)-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone

C19H15BrN2O3S — CID 2915608

IUPAC(5-bromofuran-2-yl)-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESCOc1ccc(C2CC(c3cccs3)=NN2C(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C19H15BrN2O3S/c1-24-13-6-4-12(5-7-13)15-11-14(17-3-2-10-26-17)21-22(15)19(23)16-8-9-18(20)25-16/h2-10,15H,11H2,1H3
InChIKeyVXWVOGVDWGIQCK-UHFFFAOYSA-N
MW431.31 g/mol
LogP5.10
Rot. Bonds4

About (5-bromofuran-2-yl)-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone

(5-bromofuran-2-yl)-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 2915608) has the molecular formula C19H15BrN2O3S and a molecular weight of 431.31 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
PubChem CID2915608
Molecular FormulaC19H15BrN2O3S
Molecular Weight431.31 g/mol
Exact Mass430.00
IUPAC Name(5-bromofuran-2-yl)-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESCOc1ccc(C2CC(c3cccs3)=NN2C(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C19H15BrN2O3S/c1-24-13-6-4-12(5-7-13)15-11-14(17-3-2-10-26-17)21-22(15)19(23)16-8-9-18(20)25-16/h2-10,15H,11H2,1H3
InChIKeyVXWVOGVDWGIQCK-UHFFFAOYSA-N
XLogP5.10
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.31
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(3,4-Dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 4678785
(3-(3,4-dimethoxyphenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(furan-2-yl)methanone
CID 3785596
(5-Bromofuran-2-yl)-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
CID 2915215
1-(5-bromofuran-2-carbonyl)-5-(4-bromophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
CID 3404668
5-(4-fluorophenyl)-1-(2-furoyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 2952032
(5-bromofuran-2-yl)(5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
CID 3113152
2-(2-Fluorophenoxy)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 16300130
2-[2-[3-(Furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzonitrile
CID 16323457
Furan-2-yl-[3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
CID 2986011
furan-2-yl(3-(2-hydroxyphenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)methanone
CID 135558326
5-(5-Bromofuran-2-yl)-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 4612074
2-(4-(5-(furan-2-yl)-1-(thiophene-2-carbonyl)-4,5-dihydro-1H-pyrazol-3-yl)phenoxy)-1-(piperidin-1-yl)ethanone
CID 18560686

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone (CID 2915608) is (5-bromofuran-2-yl)-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone is COc1ccc(C2CC(c3cccs3)=NN2C(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of (5-bromofuran-2-yl)-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is VXWVOGVDWGIQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O3S/c1-24-13-6-4-12(5-7-13)15-11-14(17-3-2-10-26-17)21-22(15)19(23)16-8-9-18(20)25-16/h2-10,15H,11H2,1H3.
What are the key properties of (5-bromofuran-2-yl)-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?
(5-bromofuran-2-yl)-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 431.31 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 2915608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).