[7-(2,4-dichlorophenyl)-5-methyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanamine

C21H18Cl2N4 — CID 11625412

IUPAC[7-(2,4-dichlorophenyl)-5-methyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESCc1ccccc1-c1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1
InChIInChI=1S/C21H18Cl2N4/c1-12-5-3-4-6-15(12)19-10-20-25-13(2)17(11-24)21(27(20)26-19)16-8-7-14(22)9-18(16)23/h3-10H,11,24H2,1-2H3
InChIKeyFQLXYKKCRFSTOE-UHFFFAOYSA-N
MW397.31 g/mol
LogP5.45
Rot. Bonds3

About [7-(2,4-dichlorophenyl)-5-methyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanamine

[7-(2,4-dichlorophenyl)-5-methyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanamine (PubChem CID 11625412) has the molecular formula C21H18Cl2N4 and a molecular weight of 397.31 g/mol. Its IUPAC name is [7-(2,4-dichlorophenyl)-5-methyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanamine.

Molecular Properties

Compound Name[7-(2,4-dichlorophenyl)-5-methyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanamine
PubChem CID11625412
Molecular FormulaC21H18Cl2N4
Molecular Weight397.31 g/mol
Exact Mass396.09
IUPAC Name[7-(2,4-dichlorophenyl)-5-methyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESCc1ccccc1-c1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1
InChIInChI=1S/C21H18Cl2N4/c1-12-5-3-4-6-15(12)19-10-20-25-13(2)17(11-24)21(27(20)26-19)16-8-7-14(22)9-18(16)23/h3-10H,11,24H2,1-2H3
InChIKeyFQLXYKKCRFSTOE-UHFFFAOYSA-N
XLogP5.45
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.31
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-(2,4-dichlorophenyl)-5-methyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The IUPAC name of [7-(2,4-dichlorophenyl)-5-methyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanamine (CID 11625412) is [7-(2,4-dichlorophenyl)-5-methyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanamine.
What is the SMILES notation for [7-(2,4-dichlorophenyl)-5-methyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The canonical SMILES for [7-(2,4-dichlorophenyl)-5-methyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanamine is Cc1ccccc1-c1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1.
What is the InChIKey of [7-(2,4-dichlorophenyl)-5-methyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The InChIKey is FQLXYKKCRFSTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4/c1-12-5-3-4-6-15(12)19-10-20-25-13(2)17(11-24)21(27(20)26-19)16-8-7-14(22)9-18(16)23/h3-10H,11,24H2,1-2H3.
What are the key properties of [7-(2,4-dichlorophenyl)-5-methyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
[7-(2,4-dichlorophenyl)-5-methyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanamine has a molecular weight of 397.31 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,4-dichlorophenyl)-5-methyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanamine is sourced from PubChem (CID 11625412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).