[2-(3-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine

C20H15Cl3N4 — CID 11711414

IUPAC[2-(3-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESCc1nc2cc(-c3cccc(Cl)c3)nn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C20H15Cl3N4/c1-11-16(10-24)20(15-6-5-14(22)8-17(15)23)27-19(25-11)9-18(26-27)12-3-2-4-13(21)7-12/h2-9H,10,24H2,1H3
InChIKeyDNKWCDIQIAAHIN-UHFFFAOYSA-N
MW417.73 g/mol
LogP5.79
Rot. Bonds3

About [2-(3-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine

[2-(3-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine (PubChem CID 11711414) has the molecular formula C20H15Cl3N4 and a molecular weight of 417.73 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine
PubChem CID11711414
Molecular FormulaC20H15Cl3N4
Molecular Weight417.73 g/mol
Exact Mass416.04
IUPAC Name[2-(3-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESCc1nc2cc(-c3cccc(Cl)c3)nn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C20H15Cl3N4/c1-11-16(10-24)20(15-6-5-14(22)8-17(15)23)27-19(25-11)9-18(26-27)12-3-2-4-13(21)7-12/h2-9H,10,24H2,1H3
InChIKeyDNKWCDIQIAAHIN-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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Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The IUPAC name of [2-(3-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine (CID 11711414) is [2-(3-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine.
What is the SMILES notation for [2-(3-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The canonical SMILES for [2-(3-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine is Cc1nc2cc(-c3cccc(Cl)c3)nn2c(-c2ccc(Cl)cc2Cl)c1CN.
What is the InChIKey of [2-(3-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The InChIKey is DNKWCDIQIAAHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3N4/c1-11-16(10-24)20(15-6-5-14(22)8-17(15)23)27-19(25-11)9-18(26-27)12-3-2-4-13(21)7-12/h2-9H,10,24H2,1H3.
What are the key properties of [2-(3-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
[2-(3-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-(3-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine is sourced from PubChem (CID 11711414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).