5-(2,6-dichlorophenyl)-2,3-diphenyl-3,4-dihydropyrazole

C21H16Cl2N2 — CID 170722101

IUPAC5-(2,6-dichlorophenyl)-2,3-diphenyl-3,4-dihydropyrazole
SMILESClc1cccc(Cl)c1C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C21H16Cl2N2/c22-17-12-7-13-18(23)21(17)19-14-20(15-8-3-1-4-9-15)25(24-19)16-10-5-2-6-11-16/h1-13,20H,14H2
InChIKeyZYAFKOYWLJKEQV-UHFFFAOYSA-N
MW367.28 g/mol
LogP6.35
Rot. Bonds3

About 5-(2,6-dichlorophenyl)-2,3-diphenyl-3,4-dihydropyrazole

5-(2,6-dichlorophenyl)-2,3-diphenyl-3,4-dihydropyrazole (PubChem CID 170722101) has the molecular formula C21H16Cl2N2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)-2,3-diphenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)-2,3-diphenyl-3,4-dihydropyrazole
PubChem CID170722101
Molecular FormulaC21H16Cl2N2
Molecular Weight367.28 g/mol
Exact Mass366.07
IUPAC Name5-(2,6-dichlorophenyl)-2,3-diphenyl-3,4-dihydropyrazole
SMILESClc1cccc(Cl)c1C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C21H16Cl2N2/c22-17-12-7-13-18(23)21(17)19-14-20(15-8-3-1-4-9-15)25(24-19)16-10-5-2-6-11-16/h1-13,20H,14H2
InChIKeyZYAFKOYWLJKEQV-UHFFFAOYSA-N
XLogP6.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.28
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenyl)-2,3-diphenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(2,6-dichlorophenyl)-2,3-diphenyl-3,4-dihydropyrazole (CID 170722101) is 5-(2,6-dichlorophenyl)-2,3-diphenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(2,6-dichlorophenyl)-2,3-diphenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(2,6-dichlorophenyl)-2,3-diphenyl-3,4-dihydropyrazole is Clc1cccc(Cl)c1C1=NN(c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of 5-(2,6-dichlorophenyl)-2,3-diphenyl-3,4-dihydropyrazole?
The InChIKey is ZYAFKOYWLJKEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2/c22-17-12-7-13-18(23)21(17)19-14-20(15-8-3-1-4-9-15)25(24-19)16-10-5-2-6-11-16/h1-13,20H,14H2.
What are the key properties of 5-(2,6-dichlorophenyl)-2,3-diphenyl-3,4-dihydropyrazole?
5-(2,6-dichlorophenyl)-2,3-diphenyl-3,4-dihydropyrazole has a molecular weight of 367.28 g/mol, XLogP of 6.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenyl)-2,3-diphenyl-3,4-dihydropyrazole is sourced from PubChem (CID 170722101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).