1-(1,3-diphenylpyrazol-5-yl)-4-phenyltriazole

C23H17N5 — CID 11516075

IUPAC1-(1,3-diphenylpyrazol-5-yl)-4-phenyltriazole
SMILESc1ccc(-c2cn(-c3cc(-c4ccccc4)nn3-c3ccccc3)nn2)cc1
InChIInChI=1S/C23H17N5/c1-4-10-18(11-5-1)21-16-23(28(25-21)20-14-8-3-9-15-20)27-17-22(24-26-27)19-12-6-2-7-13-19/h1-17H
InChIKeyVAULVTRHVWLGKU-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.79
Rot. Bonds4

About 1-(1,3-diphenylpyrazol-5-yl)-4-phenyltriazole

1-(1,3-diphenylpyrazol-5-yl)-4-phenyltriazole (PubChem CID 11516075) has the molecular formula C23H17N5 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-(1,3-diphenylpyrazol-5-yl)-4-phenyltriazole.

Molecular Properties

Compound Name1-(1,3-diphenylpyrazol-5-yl)-4-phenyltriazole
PubChem CID11516075
Molecular FormulaC23H17N5
Molecular Weight363.42 g/mol
Exact Mass363.15
IUPAC Name1-(1,3-diphenylpyrazol-5-yl)-4-phenyltriazole
SMILESc1ccc(-c2cn(-c3cc(-c4ccccc4)nn3-c3ccccc3)nn2)cc1
InChIInChI=1S/C23H17N5/c1-4-10-18(11-5-1)21-16-23(28(25-21)20-14-8-3-9-15-20)27-17-22(24-26-27)19-12-6-2-7-13-19/h1-17H
InChIKeyVAULVTRHVWLGKU-UHFFFAOYSA-N
XLogP4.79
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

US10399985, Example 16
CID 118278207
5-(2-Aminoanilino)-1,3-diphenylpyrazole
CID 2416350
(R)-2-Benzyl-7-phenyl-5-propoxy-2,7-dihydro-3H-imidazo[1,2-c]pyrazolo[4,3-e]pyrimidine
CID 15667142
1-((4-(1H-pyrazol-1-yl)phenyl)(1-benzyl-1H-tetrazol-5-yl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44160010
US9018217, 5,7-Dimethyl-2-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 44548113
6-phenyl-N-(6-pyrrolidin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazin-8-amine
CID 71459019
US10214537, Example 2
CID 132210090
US9018217, 5,7-Dimethyl-2-[2-(4-phenyl-1-propyl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 44608769
4-(4,5-diphenyl-1H-imidazol-2-yl)-1,3-diphenyl-1H-pyrazole
CID 11840873
3-(4-Fluorophenyl)-4-(imidazol-1-ylmethyl)-1-phenyl-pyrazole
CID 132472245
2-(4-Ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
CID 15988343
1-[1-(2,5-dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]-N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N-methylmethanamine
CID 16188252

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diphenylpyrazol-5-yl)-4-phenyltriazole?
The IUPAC name of 1-(1,3-diphenylpyrazol-5-yl)-4-phenyltriazole (CID 11516075) is 1-(1,3-diphenylpyrazol-5-yl)-4-phenyltriazole.
What is the SMILES notation for 1-(1,3-diphenylpyrazol-5-yl)-4-phenyltriazole?
The canonical SMILES for 1-(1,3-diphenylpyrazol-5-yl)-4-phenyltriazole is c1ccc(-c2cn(-c3cc(-c4ccccc4)nn3-c3ccccc3)nn2)cc1.
What is the InChIKey of 1-(1,3-diphenylpyrazol-5-yl)-4-phenyltriazole?
The InChIKey is VAULVTRHVWLGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5/c1-4-10-18(11-5-1)21-16-23(28(25-21)20-14-8-3-9-15-20)27-17-22(24-26-27)19-12-6-2-7-13-19/h1-17H.
What are the key properties of 1-(1,3-diphenylpyrazol-5-yl)-4-phenyltriazole?
1-(1,3-diphenylpyrazol-5-yl)-4-phenyltriazole has a molecular weight of 363.42 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diphenylpyrazol-5-yl)-4-phenyltriazole is sourced from PubChem (CID 11516075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).