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

C20H15Cl3N4 — CID 11697387

IUPAC[2-(2-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESCc1nc2cc(-c3ccccc3Cl)nn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C20H15Cl3N4/c1-11-15(10-24)20(14-7-6-12(21)8-17(14)23)27-19(25-11)9-18(26-27)13-4-2-3-5-16(13)22/h2-9H,10,24H2,1H3
InChIKeyUJJPXBKJLGYILX-UHFFFAOYSA-N
MW417.73 g/mol
LogP5.79
Rot. Bonds3

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

[2-(2-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine (PubChem CID 11697387) has the molecular formula C20H15Cl3N4 and a molecular weight of 417.73 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine
PubChem CID11697387
Molecular FormulaC20H15Cl3N4
Molecular Weight417.73 g/mol
Exact Mass416.04
IUPAC Name[2-(2-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESCc1nc2cc(-c3ccccc3Cl)nn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C20H15Cl3N4/c1-11-15(10-24)20(14-7-6-12(21)8-17(14)23)27-19(25-11)9-18(26-27)13-4-2-3-5-16(13)22/h2-9H,10,24H2,1H3
InChIKeyUJJPXBKJLGYILX-UHFFFAOYSA-N
XLogP5.79
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.73
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 4878
8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 9909468
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methylphenyl)pyrimidin-4-amine
CID 10172375
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
N7-Butyl-N2-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-A]pyrimidine-2,7-diamine
CID 5287523
5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 21066087
2-(4-Chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 738354
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-methylphenyl)pyrimidin-4-amine
CID 10172376
5-(Aminomethyl)-2-(3-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-4-amine
CID 10172681
5-(Aminomethyl)-2-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-4-amine
CID 10309373
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-phenylpyrimidin-4-amine
CID 11688776

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The IUPAC name of [2-(2-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine (CID 11697387) is [2-(2-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine.
What is the SMILES notation for [2-(2-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The canonical SMILES for [2-(2-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine is Cc1nc2cc(-c3ccccc3Cl)nn2c(-c2ccc(Cl)cc2Cl)c1CN.
What is the InChIKey of [2-(2-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The InChIKey is UJJPXBKJLGYILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3N4/c1-11-15(10-24)20(14-7-6-12(21)8-17(14)23)27-19(25-11)9-18(26-27)13-4-2-3-5-16(13)22/h2-9H,10,24H2,1H3.
What are the key properties of [2-(2-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
[2-(2-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine has a molecular weight of 417.73 g/mol, XLogP of 5.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine is sourced from PubChem (CID 11697387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).