2-(3,4-dichlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile

C20H15Cl2N5 — CID 67284290

IUPAC2-(3,4-dichlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
SMILESCc1ccc(Nc2c(-c3ccc(Cl)c(Cl)c3)nc3c(C#N)c[nH]n23)c(C)c1
InChIInChI=1S/C20H15Cl2N5/c1-11-3-6-17(12(2)7-11)25-20-18(13-4-5-15(21)16(22)8-13)26-19-14(9-23)10-24-27(19)20/h3-8,10,24-25H,1-2H3
InChIKeyDUANKJNLQFGGHJ-UHFFFAOYSA-N
MW396.28 g/mol
LogP5.87
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile

2-(3,4-dichlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (PubChem CID 67284290) has the molecular formula C20H15Cl2N5 and a molecular weight of 396.28 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
PubChem CID67284290
Molecular FormulaC20H15Cl2N5
Molecular Weight396.28 g/mol
Exact Mass395.07
IUPAC Name2-(3,4-dichlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
SMILESCc1ccc(Nc2c(-c3ccc(Cl)c(Cl)c3)nc3c(C#N)c[nH]n23)c(C)c1
InChIInChI=1S/C20H15Cl2N5/c1-11-3-6-17(12(2)7-11)25-20-18(13-4-5-15(21)16(22)8-13)26-19-14(9-23)10-24-27(19)20/h3-8,10,24-25H,1-2H3
InChIKeyDUANKJNLQFGGHJ-UHFFFAOYSA-N
XLogP5.87
TPSA68.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.28
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The IUPAC name of 2-(3,4-dichlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (CID 67284290) is 2-(3,4-dichlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The canonical SMILES for 2-(3,4-dichlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is Cc1ccc(Nc2c(-c3ccc(Cl)c(Cl)c3)nc3c(C#N)c[nH]n23)c(C)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The InChIKey is DUANKJNLQFGGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5/c1-11-3-6-17(12(2)7-11)25-20-18(13-4-5-15(21)16(22)8-13)26-19-14(9-23)10-24-27(19)20/h3-8,10,24-25H,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
2-(3,4-dichlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile has a molecular weight of 396.28 g/mol, XLogP of 5.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is sourced from PubChem (CID 67284290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).