(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)-triphenylphosphanium perchlorate

C24H20ClN4O4P — CID 44654771

IUPAC(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)-triphenylphosphanium perchlorate
SMILESNc1nn2cccnc2c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H20N4P.ClHO4/c25-23-22(24-26-17-10-18-28(24)27-23)29(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;2-1(3,4)5/h1-18H,(H2,25,27);(H,2,3,4,5)/q+1;/p-1
InChIKeyHKYGFDKHRDKVFB-UHFFFAOYSA-M
MW494.88 g/mol
LogP-1.83
Rot. Bonds4

About (2-aminopyrazolo[1,5-a]pyrimidin-3-yl)-triphenylphosphanium perchlorate

(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)-triphenylphosphanium perchlorate (PubChem CID 44654771) has the molecular formula C24H20ClN4O4P and a molecular weight of 494.88 g/mol. Its IUPAC name is (2-aminopyrazolo[1,5-a]pyrimidin-3-yl)-triphenylphosphanium perchlorate.

Molecular Properties

Compound Name(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)-triphenylphosphanium perchlorate
PubChem CID44654771
Molecular FormulaC24H20ClN4O4P
Molecular Weight494.88 g/mol
Exact Mass494.09
IUPAC Name(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)-triphenylphosphanium perchlorate
SMILESNc1nn2cccnc2c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H20N4P.ClHO4/c25-23-22(24-26-17-10-18-28(24)27-23)29(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;2-1(3,4)5/h1-18H,(H2,25,27);(H,2,3,4,5)/q+1;/p-1
InChIKeyHKYGFDKHRDKVFB-UHFFFAOYSA-M
XLogP-1.83
TPSA148.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.88
LogP ≤ 5-1.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-aminopyrazolo[1,5-a]pyrimidin-3-yl)-triphenylphosphanium perchlorate?
The IUPAC name of (2-aminopyrazolo[1,5-a]pyrimidin-3-yl)-triphenylphosphanium perchlorate (CID 44654771) is (2-aminopyrazolo[1,5-a]pyrimidin-3-yl)-triphenylphosphanium perchlorate.
What is the SMILES notation for (2-aminopyrazolo[1,5-a]pyrimidin-3-yl)-triphenylphosphanium perchlorate?
The canonical SMILES for (2-aminopyrazolo[1,5-a]pyrimidin-3-yl)-triphenylphosphanium perchlorate is Nc1nn2cccnc2c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of (2-aminopyrazolo[1,5-a]pyrimidin-3-yl)-triphenylphosphanium perchlorate?
The InChIKey is HKYGFDKHRDKVFB-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H20N4P.ClHO4/c25-23-22(24-26-17-10-18-28(24)27-23)29(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;2-1(3,4)5/h1-18H,(H2,25,27);(H,2,3,4,5)/q+1;/p-1.
What are the key properties of (2-aminopyrazolo[1,5-a]pyrimidin-3-yl)-triphenylphosphanium perchlorate?
(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)-triphenylphosphanium perchlorate has a molecular weight of 494.88 g/mol, XLogP of -1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminopyrazolo[1,5-a]pyrimidin-3-yl)-triphenylphosphanium perchlorate is sourced from PubChem (CID 44654771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).