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

C15H14Cl2N4 — CID 11493492

IUPAC[7-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESCc1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1
InChIInChI=1S/C15H14Cl2N4/c1-8-5-14-19-9(2)12(7-18)15(21(14)20-8)11-4-3-10(16)6-13(11)17/h3-6H,7,18H2,1-2H3
InChIKeyFJEDEPBFKRNUAO-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.78
Rot. Bonds2

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

[7-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine (PubChem CID 11493492) has the molecular formula C15H14Cl2N4 and a molecular weight of 321.21 g/mol. Its IUPAC name is [7-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine.

Molecular Properties

Compound Name[7-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine
PubChem CID11493492
Molecular FormulaC15H14Cl2N4
Molecular Weight321.21 g/mol
Exact Mass320.06
IUPAC Name[7-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESCc1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1
InChIInChI=1S/C15H14Cl2N4/c1-8-5-14-19-9(2)12(7-18)15(21(14)20-8)11-4-3-10(16)6-13(11)17/h3-6H,7,18H2,1-2H3
InChIKeyFJEDEPBFKRNUAO-UHFFFAOYSA-N
XLogP3.78
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 53.78
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)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The IUPAC name of [7-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine (CID 11493492) is [7-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine.
What is the SMILES notation for [7-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The canonical SMILES for [7-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine is Cc1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1.
What is the InChIKey of [7-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The InChIKey is FJEDEPBFKRNUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4/c1-8-5-14-19-9(2)12(7-18)15(21(14)20-8)11-4-3-10(16)6-13(11)17/h3-6H,7,18H2,1-2H3.
What are the key properties of [7-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
[7-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine has a molecular weight of 321.21 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine is sourced from PubChem (CID 11493492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).