3-(2-methoxyphenyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C22H22N4O — CID 4912549

IUPAC3-(2-methoxyphenyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccccc1-c1cnn2c(NCCc3ccccc3)cc(C)nc12
InChIInChI=1S/C22H22N4O/c1-16-14-21(23-13-12-17-8-4-3-5-9-17)26-22(25-16)19(15-24-26)18-10-6-7-11-20(18)27-2/h3-11,14-15,23H,12-13H2,1-2H3
InChIKeySPMHPFSJBVJJMS-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.37
Rot. Bonds6

About 3-(2-methoxyphenyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-(2-methoxyphenyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 4912549) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID4912549
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name3-(2-methoxyphenyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccccc1-c1cnn2c(NCCc3ccccc3)cc(C)nc12
InChIInChI=1S/C22H22N4O/c1-16-14-21(23-13-12-17-8-4-3-5-9-17)26-22(25-16)19(15-24-26)18-10-6-7-11-20(18)27-2/h3-11,14-15,23H,12-13H2,1-2H3
InChIKeySPMHPFSJBVJJMS-UHFFFAOYSA-N
XLogP4.37
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(2-methoxyphenyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 4912549) is 3-(2-methoxyphenyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(2-methoxyphenyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is COc1ccccc1-c1cnn2c(NCCc3ccccc3)cc(C)nc12.
What is the InChIKey of 3-(2-methoxyphenyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SPMHPFSJBVJJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-16-14-21(23-13-12-17-8-4-3-5-9-17)26-22(25-16)19(15-24-26)18-10-6-7-11-20(18)27-2/h3-11,14-15,23H,12-13H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(2-methoxyphenyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 358.45 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 4912549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).