1-(2,3-diphenyl-5-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole

C26H20N6 — CID 3787685

IUPAC1-(2,3-diphenyl-5-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole
SMILESc1ccc(C2C(n3nnc4ccccc43)C(c3cccnc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C26H20N6/c1-3-10-19(11-4-1)25-26(32-23-16-8-7-15-22(23)28-30-32)24(20-12-9-17-27-18-20)29-31(25)21-13-5-2-6-14-21/h1-18,25-26H
InChIKeyWQPPCDVBLCWNDU-UHFFFAOYSA-N
MW416.49 g/mol
LogP5.03
Rot. Bonds4

About 1-(2,3-diphenyl-5-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole

1-(2,3-diphenyl-5-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole (PubChem CID 3787685) has the molecular formula C26H20N6 and a molecular weight of 416.49 g/mol. Its IUPAC name is 1-(2,3-diphenyl-5-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole.

Molecular Properties

Compound Name1-(2,3-diphenyl-5-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole
PubChem CID3787685
Molecular FormulaC26H20N6
Molecular Weight416.49 g/mol
Exact Mass416.17
IUPAC Name1-(2,3-diphenyl-5-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole
SMILESc1ccc(C2C(n3nnc4ccccc43)C(c3cccnc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C26H20N6/c1-3-10-19(11-4-1)25-26(32-23-16-8-7-15-22(23)28-30-32)24(20-12-9-17-27-18-20)29-31(25)21-13-5-2-6-14-21/h1-18,25-26H
InChIKeyWQPPCDVBLCWNDU-UHFFFAOYSA-N
XLogP5.03
TPSA59.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.49
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2,3-diphenyl-5-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diphenyl-5-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole?
The IUPAC name of 1-(2,3-diphenyl-5-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole (CID 3787685) is 1-(2,3-diphenyl-5-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole.
What is the SMILES notation for 1-(2,3-diphenyl-5-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole?
The canonical SMILES for 1-(2,3-diphenyl-5-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole is c1ccc(C2C(n3nnc4ccccc43)C(c3cccnc3)=NN2c2ccccc2)cc1.
What is the InChIKey of 1-(2,3-diphenyl-5-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole?
The InChIKey is WQPPCDVBLCWNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6/c1-3-10-19(11-4-1)25-26(32-23-16-8-7-15-22(23)28-30-32)24(20-12-9-17-27-18-20)29-31(25)21-13-5-2-6-14-21/h1-18,25-26H.
What are the key properties of 1-(2,3-diphenyl-5-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole?
1-(2,3-diphenyl-5-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole has a molecular weight of 416.49 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diphenyl-5-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole is sourced from PubChem (CID 3787685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).