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

C22H22N4O — CID 74539102

IUPACN-(4-methylphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1ccc(Nc2cc(Oc3c(C)cc(C)cc3C)n3nccc3n2)cc1
InChIInChI=1S/C22H22N4O/c1-14-5-7-18(8-6-14)24-19-13-21(26-20(25-19)9-10-23-26)27-22-16(3)11-15(2)12-17(22)4/h5-13H,1-4H3,(H,24,25)
InChIKeyNLGZHDWJDAMWSI-UHFFFAOYSA-N
MW358.45 g/mol
LogP5.50
Rot. Bonds4

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

N-(4-methylphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 74539102) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-(4-methylphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID74539102
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-(4-methylphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1ccc(Nc2cc(Oc3c(C)cc(C)cc3C)n3nccc3n2)cc1
InChIInChI=1S/C22H22N4O/c1-14-5-7-18(8-6-14)24-19-13-21(26-20(25-19)9-10-23-26)27-22-16(3)11-15(2)12-17(22)4/h5-13H,1-4H3,(H,24,25)
InChIKeyNLGZHDWJDAMWSI-UHFFFAOYSA-N
XLogP5.50
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.45
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-((2-((4-Cyanophenyl)amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile
CID 57693582
3-(4-Methoxy-3-Methylphenyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 56835771
N~7~-(4-Ethoxyphenyl)-6-Methyl-N~5~-[(3s)-Piperidin-3-Yl]pyrazolo[1,5-A]pyrimidine-5,7-Diamine
CID 49867482
US11518761, Example 54
CID 156009949
8-(4-Methoxyphenyl)-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59199121
(2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine
CID 135284803
N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 155126886
7-Amino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70686471
2-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329459
dorsomorphin (91E)
CID 50997746
(1E)-1-({4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 91068408
(2E)-1-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-2-{[4-(prop-2-en-1-yloxy)phenyl]methylidene}hydrazine
CID 91223202

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(4-methylphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine (CID 74539102) is N-(4-methylphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(4-methylphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(4-methylphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine is Cc1ccc(Nc2cc(Oc3c(C)cc(C)cc3C)n3nccc3n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is NLGZHDWJDAMWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-14-5-7-18(8-6-14)24-19-13-21(26-20(25-19)9-10-23-26)27-22-16(3)11-15(2)12-17(22)4/h5-13H,1-4H3,(H,24,25).
What are the key properties of N-(4-methylphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine?
N-(4-methylphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 358.45 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-7-(2,4,6-trimethylphenoxy)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 74539102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).