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

C19H15ClN2S2 — CID 7184152

IUPAC(3R)-2-(4-chlorophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole
SMILESClc1ccc(N2N=C(/C=C/c3cccs3)C[C@@H]2c2cccs2)cc1
InChIInChI=1S/C19H15ClN2S2/c20-14-5-8-16(9-6-14)22-18(19-4-2-12-24-19)13-15(21-22)7-10-17-3-1-11-23-17/h1-12,18H,13H2/b10-7+/t18-/m1/s1
InChIKeyDRGPHXMJECBVAO-RUJXFNLJSA-N
MW370.93 g/mol
LogP6.48
Rot. Bonds4

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

(3R)-2-(4-chlorophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole (PubChem CID 7184152) has the molecular formula C19H15ClN2S2 and a molecular weight of 370.93 g/mol. Its IUPAC name is (3R)-2-(4-chlorophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3R)-2-(4-chlorophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole
PubChem CID7184152
Molecular FormulaC19H15ClN2S2
Molecular Weight370.93 g/mol
Exact Mass370.04
IUPAC Name(3R)-2-(4-chlorophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole
SMILESClc1ccc(N2N=C(/C=C/c3cccs3)C[C@@H]2c2cccs2)cc1
InChIInChI=1S/C19H15ClN2S2/c20-14-5-8-16(9-6-14)22-18(19-4-2-12-24-19)13-15(21-22)7-10-17-3-1-11-23-17/h1-12,18H,13H2/b10-7+/t18-/m1/s1
InChIKeyDRGPHXMJECBVAO-RUJXFNLJSA-N
XLogP6.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.93
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-(4-chlorophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole?
The IUPAC name of (3R)-2-(4-chlorophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole (CID 7184152) is (3R)-2-(4-chlorophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole.
What is the SMILES notation for (3R)-2-(4-chlorophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole?
The canonical SMILES for (3R)-2-(4-chlorophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole is Clc1ccc(N2N=C(/C=C/c3cccs3)C[C@@H]2c2cccs2)cc1.
What is the InChIKey of (3R)-2-(4-chlorophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole?
The InChIKey is DRGPHXMJECBVAO-RUJXFNLJSA-N. The full InChI is InChI=1S/C19H15ClN2S2/c20-14-5-8-16(9-6-14)22-18(19-4-2-12-24-19)13-15(21-22)7-10-17-3-1-11-23-17/h1-12,18H,13H2/b10-7+/t18-/m1/s1.
What are the key properties of (3R)-2-(4-chlorophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole?
(3R)-2-(4-chlorophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole has a molecular weight of 370.93 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(4-chlorophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole is sourced from PubChem (CID 7184152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).