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

C22H22N4O2 — CID 74539103

IUPACN-(4-methoxyphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(Nc2cc(Oc3c(C)cc(C)cc3C)n3nccc3n2)cc1
InChIInChI=1S/C22H22N4O2/c1-14-11-15(2)22(16(3)12-14)28-21-13-19(25-20-9-10-23-26(20)21)24-17-5-7-18(27-4)8-6-17/h5-13H,1-4H3,(H,24,25)
InChIKeyDDBCZSGYALVWHA-UHFFFAOYSA-N
MW374.44 g/mol
LogP5.20
Rot. Bonds5

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

N-(4-methoxyphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 74539103) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID74539103
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(4-methoxyphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(Nc2cc(Oc3c(C)cc(C)cc3C)n3nccc3n2)cc1
InChIInChI=1S/C22H22N4O2/c1-14-11-15(2)22(16(3)12-14)28-21-13-19(25-20-9-10-23-26(20)21)24-17-5-7-18(27-4)8-6-17/h5-13H,1-4H3,(H,24,25)
InChIKeyDDBCZSGYALVWHA-UHFFFAOYSA-N
XLogP5.20
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(4-methoxyphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine (CID 74539103) is N-(4-methoxyphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(4-methoxyphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine is COc1ccc(Nc2cc(Oc3c(C)cc(C)cc3C)n3nccc3n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is DDBCZSGYALVWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-11-15(2)22(16(3)12-14)28-21-13-19(25-20-9-10-23-26(20)21)24-17-5-7-18(27-4)8-6-17/h5-13H,1-4H3,(H,24,25).
What are the key properties of N-(4-methoxyphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine?
N-(4-methoxyphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 374.44 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 74539103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).