N-(3-methoxyphenyl)-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C22H22N4O — CID 46299381

IUPACN-(3-methoxyphenyl)-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc(Nc2cc(C)nc3c(C)c(-c4ccc(C)cc4)nn23)c1
InChIInChI=1S/C22H22N4O/c1-14-8-10-17(11-9-14)21-16(3)22-23-15(2)12-20(26(22)25-21)24-18-6-5-7-19(13-18)27-4/h5-13,24H,1-4H3
InChIKeyZGOSUNLKZQMSEY-UHFFFAOYSA-N
MW358.45 g/mol
LogP5.07
Rot. Bonds4

About N-(3-methoxyphenyl)-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

N-(3-methoxyphenyl)-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 46299381) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID46299381
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-(3-methoxyphenyl)-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc(Nc2cc(C)nc3c(C)c(-c4ccc(C)cc4)nn23)c1
InChIInChI=1S/C22H22N4O/c1-14-8-10-17(11-9-14)21-16(3)22-23-15(2)12-20(26(22)25-21)24-18-6-5-7-19(13-18)27-4/h5-13,24H,1-4H3
InChIKeyZGOSUNLKZQMSEY-UHFFFAOYSA-N
XLogP5.07
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 ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-methoxyphenyl)-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 46299381) is N-(3-methoxyphenyl)-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-methoxyphenyl)-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is COc1cccc(Nc2cc(C)nc3c(C)c(-c4ccc(C)cc4)nn23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZGOSUNLKZQMSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-14-8-10-17(11-9-14)21-16(3)22-23-15(2)12-20(26(22)25-21)24-18-6-5-7-19(13-18)27-4/h5-13,24H,1-4H3.
What are the key properties of N-(3-methoxyphenyl)-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-(3-methoxyphenyl)-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 358.45 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 46299381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).