N-(2-phenoxyethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine

C20H18N4O — CID 46942652

IUPACN-(2-phenoxyethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1ccc(OCCNc2ccn3nc(-c4ccccc4)cc3n2)cc1
InChIInChI=1S/C20H18N4O/c1-3-7-16(8-4-1)18-15-20-22-19(11-13-24(20)23-18)21-12-14-25-17-9-5-2-6-10-17/h1-11,13,15H,12,14H2,(H,21,22)
InChIKeyOAVXVYWQAXZEHQ-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.89
Rot. Bonds6

About N-(2-phenoxyethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine

N-(2-phenoxyethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 46942652) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID46942652
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-(2-phenoxyethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1ccc(OCCNc2ccn3nc(-c4ccccc4)cc3n2)cc1
InChIInChI=1S/C20H18N4O/c1-3-7-16(8-4-1)18-15-20-22-19(11-13-24(20)23-18)21-12-14-25-17-9-5-2-6-10-17/h1-11,13,15H,12,14H2,(H,21,22)
InChIKeyOAVXVYWQAXZEHQ-UHFFFAOYSA-N
XLogP3.89
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(2-phenoxyethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine (CID 46942652) is N-(2-phenoxyethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(2-phenoxyethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(2-phenoxyethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine is c1ccc(OCCNc2ccn3nc(-c4ccccc4)cc3n2)cc1.
What is the InChIKey of N-(2-phenoxyethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is OAVXVYWQAXZEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-3-7-16(8-4-1)18-15-20-22-19(11-13-24(20)23-18)21-12-14-25-17-9-5-2-6-10-17/h1-11,13,15H,12,14H2,(H,21,22).
What are the key properties of N-(2-phenoxyethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
N-(2-phenoxyethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 330.39 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 46942652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).