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

C26H20N6 — CID 85403165

IUPAC1-(2,5-diphenyl-3-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole
SMILESc1ccc(C2=NN(c3ccccc3)C(c3cccnc3)C2n2nnc3ccccc32)cc1
InChIInChI=1S/C26H20N6/c1-3-10-19(11-4-1)24-26(32-23-16-8-7-15-22(23)28-30-32)25(20-12-9-17-27-18-20)31(29-24)21-13-5-2-6-14-21/h1-18,25-26H
InChIKeyAFFCLMVMNGVHJM-UHFFFAOYSA-N
MW416.49 g/mol
LogP5.03
Rot. Bonds4

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

1-(2,5-diphenyl-3-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole (PubChem CID 85403165) has the molecular formula C26H20N6 and a molecular weight of 416.49 g/mol. Its IUPAC name is 1-(2,5-diphenyl-3-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole.

Molecular Properties

Compound Name1-(2,5-diphenyl-3-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole
PubChem CID85403165
Molecular FormulaC26H20N6
Molecular Weight416.49 g/mol
Exact Mass416.17
IUPAC Name1-(2,5-diphenyl-3-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole
SMILESc1ccc(C2=NN(c3ccccc3)C(c3cccnc3)C2n2nnc3ccccc32)cc1
InChIInChI=1S/C26H20N6/c1-3-10-19(11-4-1)24-26(32-23-16-8-7-15-22(23)28-30-32)25(20-12-9-17-27-18-20)31(29-24)21-13-5-2-6-14-21/h1-18,25-26H
InChIKeyAFFCLMVMNGVHJM-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

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Related Compounds

Besipirdine
CID 60691
2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925
2-(4-Fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9857146
6-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9944397
Butyl-indol-1-yl-pyridin-4-yl-amine
CID 10801657
(3-Ethyl-indol-1-yl)-propyl-pyridin-4-yl-amine
CID 10850308
2-Phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11470612
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 73504556
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-(pyrazin-2-ylmethyl)indazole
CID 73504557
ML300-based SC inhibitor 24
CID 156027221
ML300-based SC inhibitor 25
CID 156027222
9-[9-(beta-Carboline-9-yl)nonyl]-beta-carboline
CID 46223113

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diphenyl-3-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole?
The IUPAC name of 1-(2,5-diphenyl-3-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole (CID 85403165) is 1-(2,5-diphenyl-3-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole.
What is the SMILES notation for 1-(2,5-diphenyl-3-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole?
The canonical SMILES for 1-(2,5-diphenyl-3-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole is c1ccc(C2=NN(c3ccccc3)C(c3cccnc3)C2n2nnc3ccccc32)cc1.
What is the InChIKey of 1-(2,5-diphenyl-3-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole?
The InChIKey is AFFCLMVMNGVHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6/c1-3-10-19(11-4-1)24-26(32-23-16-8-7-15-22(23)28-30-32)25(20-12-9-17-27-18-20)31(29-24)21-13-5-2-6-14-21/h1-18,25-26H.
What are the key properties of 1-(2,5-diphenyl-3-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole?
1-(2,5-diphenyl-3-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-(2,5-diphenyl-3-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole is sourced from PubChem (CID 85403165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).