1-[(1,5-diphenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole

C24H19N5 — CID 11740323

IUPAC1-[(1,5-diphenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole
SMILESc1ccc(-c2c(C(c3ccccc3)n3cncn3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C24H19N5/c1-4-10-19(11-5-1)23(28-18-25-17-27-28)22-16-26-29(21-14-8-3-9-15-21)24(22)20-12-6-2-7-13-20/h1-18,23H
InChIKeyNTBBZIHTHREDOP-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.77
Rot. Bonds5

About 1-[(1,5-diphenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole

1-[(1,5-diphenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole (PubChem CID 11740323) has the molecular formula C24H19N5 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-[(1,5-diphenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[(1,5-diphenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole
PubChem CID11740323
Molecular FormulaC24H19N5
Molecular Weight377.45 g/mol
Exact Mass377.16
IUPAC Name1-[(1,5-diphenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole
SMILESc1ccc(-c2c(C(c3ccccc3)n3cncn3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C24H19N5/c1-4-10-19(11-5-1)23(28-18-25-17-27-28)22-16-26-29(21-14-8-3-9-15-21)24(22)20-12-6-2-7-13-20/h1-18,23H
InChIKeyNTBBZIHTHREDOP-UHFFFAOYSA-N
XLogP4.77
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-diphenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole?
The IUPAC name of 1-[(1,5-diphenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole (CID 11740323) is 1-[(1,5-diphenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole.
What is the SMILES notation for 1-[(1,5-diphenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole?
The canonical SMILES for 1-[(1,5-diphenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole is c1ccc(-c2c(C(c3ccccc3)n3cncn3)cnn2-c2ccccc2)cc1.
What is the InChIKey of 1-[(1,5-diphenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole?
The InChIKey is NTBBZIHTHREDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5/c1-4-10-19(11-5-1)23(28-18-25-17-27-28)22-16-26-29(21-14-8-3-9-15-21)24(22)20-12-6-2-7-13-20/h1-18,23H.
What are the key properties of 1-[(1,5-diphenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole?
1-[(1,5-diphenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole has a molecular weight of 377.45 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-diphenylpyrazol-4-yl)-phenylmethyl]-1,2,4-triazole is sourced from PubChem (CID 11740323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).