1,3,4-triphenylpyrazol-5-amine

C21H17N3 — CID 872600

IUPAC1,3,4-triphenylpyrazol-5-amine
SMILESNc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C21H17N3/c22-21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)23-24(21)18-14-8-3-9-15-18/h1-15H,22H2
InChIKeyBCDRZHGIKDVHJB-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.79
Rot. Bonds3

About 1,3,4-triphenylpyrazol-5-amine

1,3,4-triphenylpyrazol-5-amine (PubChem CID 872600) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1,3,4-triphenylpyrazol-5-amine.

Molecular Properties

Compound Name1,3,4-triphenylpyrazol-5-amine
PubChem CID872600
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC Name1,3,4-triphenylpyrazol-5-amine
SMILESNc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C21H17N3/c22-21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)23-24(21)18-14-8-3-9-15-18/h1-15H,22H2
InChIKeyBCDRZHGIKDVHJB-UHFFFAOYSA-N
XLogP4.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-triphenylpyrazol-5-amine?
The IUPAC name of 1,3,4-triphenylpyrazol-5-amine (CID 872600) is 1,3,4-triphenylpyrazol-5-amine.
What is the SMILES notation for 1,3,4-triphenylpyrazol-5-amine?
The canonical SMILES for 1,3,4-triphenylpyrazol-5-amine is Nc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 1,3,4-triphenylpyrazol-5-amine?
The InChIKey is BCDRZHGIKDVHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3/c22-21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)23-24(21)18-14-8-3-9-15-18/h1-15H,22H2.
What are the key properties of 1,3,4-triphenylpyrazol-5-amine?
1,3,4-triphenylpyrazol-5-amine has a molecular weight of 311.39 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-triphenylpyrazol-5-amine is sourced from PubChem (CID 872600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).