2-(2-bromophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole

C19H15BrN2S2 — CID 171983626

IUPAC2-(2-bromophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole
SMILESBrc1ccccc1N1N=C(/C=C/c2cccs2)CC1c1cccs1
InChIInChI=1S/C19H15BrN2S2/c20-16-6-1-2-7-17(16)22-18(19-8-4-12-24-19)13-14(21-22)9-10-15-5-3-11-23-15/h1-12,18H,13H2/b10-9+
InChIKeyIMCTUYCBHSAWRR-MDZDMXLPSA-N
MW415.38 g/mol
LogP6.59
Rot. Bonds4

About 2-(2-bromophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole

2-(2-bromophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole (PubChem CID 171983626) has the molecular formula C19H15BrN2S2 and a molecular weight of 415.38 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole
PubChem CID171983626
Molecular FormulaC19H15BrN2S2
Molecular Weight415.38 g/mol
Exact Mass413.99
IUPAC Name2-(2-bromophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole
SMILESBrc1ccccc1N1N=C(/C=C/c2cccs2)CC1c1cccs1
InChIInChI=1S/C19H15BrN2S2/c20-16-6-1-2-7-17(16)22-18(19-8-4-12-24-19)13-14(21-22)9-10-15-5-3-11-23-15/h1-12,18H,13H2/b10-9+
InChIKeyIMCTUYCBHSAWRR-MDZDMXLPSA-N
XLogP6.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.38
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole?
The IUPAC name of 2-(2-bromophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole (CID 171983626) is 2-(2-bromophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole.
What is the SMILES notation for 2-(2-bromophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole?
The canonical SMILES for 2-(2-bromophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole is Brc1ccccc1N1N=C(/C=C/c2cccs2)CC1c1cccs1.
What is the InChIKey of 2-(2-bromophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole?
The InChIKey is IMCTUYCBHSAWRR-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H15BrN2S2/c20-16-6-1-2-7-17(16)22-18(19-8-4-12-24-19)13-14(21-22)9-10-15-5-3-11-23-15/h1-12,18H,13H2/b10-9+.
What are the key properties of 2-(2-bromophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole?
2-(2-bromophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole has a molecular weight of 415.38 g/mol, XLogP of 6.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole is sourced from PubChem (CID 171983626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).