N-(4-fluorophenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine

C21H19FN4O — CID 74539101

IUPACN-(4-fluorophenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1cc(C)c(Oc2cc(Nc3ccc(F)cc3)nc3ccnn23)c(C)c1
InChIInChI=1S/C21H19FN4O/c1-13-10-14(2)21(15(3)11-13)27-20-12-18(25-19-8-9-23-26(19)20)24-17-6-4-16(22)5-7-17/h4-12H,1-3H3,(H,24,25)
InChIKeyIHCQZPYYNKRRNE-UHFFFAOYSA-N
MW362.41 g/mol
LogP5.33
Rot. Bonds4

About N-(4-fluorophenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine

N-(4-fluorophenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 74539101) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID74539101
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC NameN-(4-fluorophenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1cc(C)c(Oc2cc(Nc3ccc(F)cc3)nc3ccnn23)c(C)c1
InChIInChI=1S/C21H19FN4O/c1-13-10-14(2)21(15(3)11-13)27-20-12-18(25-19-8-9-23-26(19)20)24-17-6-4-16(22)5-7-17/h4-12H,1-3H3,(H,24,25)
InChIKeyIHCQZPYYNKRRNE-UHFFFAOYSA-N
XLogP5.33
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.41
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(4-fluorophenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine (CID 74539101) is N-(4-fluorophenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(4-fluorophenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(4-fluorophenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine is Cc1cc(C)c(Oc2cc(Nc3ccc(F)cc3)nc3ccnn23)c(C)c1.
What is the InChIKey of N-(4-fluorophenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is IHCQZPYYNKRRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-13-10-14(2)21(15(3)11-13)27-20-12-18(25-19-8-9-23-26(19)20)24-17-6-4-16(22)5-7-17/h4-12H,1-3H3,(H,24,25).
What are the key properties of N-(4-fluorophenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine?
N-(4-fluorophenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 362.41 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 74539101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).