N,1,5-triphenylpyrazol-3-amine

C21H17N3 — CID 1185824

IUPACN,1,5-triphenylpyrazol-3-amine
SMILESc1ccc(Nc2cc(-c3ccccc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H17N3/c1-4-10-17(11-5-1)20-16-21(22-18-12-6-2-7-13-18)23-24(20)19-14-8-3-9-15-19/h1-16H,(H,22,23)
InChIKeyQJKMWNVORMBECN-UHFFFAOYSA-N
MW311.39 g/mol
LogP5.28
Rot. Bonds4

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

N,1,5-triphenylpyrazol-3-amine (PubChem CID 1185824) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is N,1,5-triphenylpyrazol-3-amine.

Molecular Properties

Compound NameN,1,5-triphenylpyrazol-3-amine
PubChem CID1185824
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC NameN,1,5-triphenylpyrazol-3-amine
SMILESc1ccc(Nc2cc(-c3ccccc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H17N3/c1-4-10-17(11-5-1)20-16-21(22-18-12-6-2-7-13-18)23-24(20)19-14-8-3-9-15-19/h1-16H,(H,22,23)
InChIKeyQJKMWNVORMBECN-UHFFFAOYSA-N
XLogP5.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.39
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,1,5-triphenylpyrazol-3-amine?
The IUPAC name of N,1,5-triphenylpyrazol-3-amine (CID 1185824) is N,1,5-triphenylpyrazol-3-amine.
What is the SMILES notation for N,1,5-triphenylpyrazol-3-amine?
The canonical SMILES for N,1,5-triphenylpyrazol-3-amine is c1ccc(Nc2cc(-c3ccccc3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of N,1,5-triphenylpyrazol-3-amine?
The InChIKey is QJKMWNVORMBECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3/c1-4-10-17(11-5-1)20-16-21(22-18-12-6-2-7-13-18)23-24(20)19-14-8-3-9-15-19/h1-16H,(H,22,23).
What are the key properties of N,1,5-triphenylpyrazol-3-amine?
N,1,5-triphenylpyrazol-3-amine has a molecular weight of 311.39 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,5-triphenylpyrazol-3-amine is sourced from PubChem (CID 1185824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).