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

C20H16ClN5 — CID 67284251

IUPAC2-(4-chlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
SMILESCc1ccc(Nc2c(-c3ccc(Cl)cc3)nc3c(C#N)c[nH]n23)c(C)c1
InChIInChI=1S/C20H16ClN5/c1-12-3-8-17(13(2)9-12)24-20-18(14-4-6-16(21)7-5-14)25-19-15(10-22)11-23-26(19)20/h3-9,11,23-24H,1-2H3
InChIKeyHHCNAJJLDFTOGB-UHFFFAOYSA-N
MW361.84 g/mol
LogP5.21
Rot. Bonds3

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

2-(4-chlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (PubChem CID 67284251) has the molecular formula C20H16ClN5 and a molecular weight of 361.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
PubChem CID67284251
Molecular FormulaC20H16ClN5
Molecular Weight361.84 g/mol
Exact Mass361.11
IUPAC Name2-(4-chlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
SMILESCc1ccc(Nc2c(-c3ccc(Cl)cc3)nc3c(C#N)c[nH]n23)c(C)c1
InChIInChI=1S/C20H16ClN5/c1-12-3-8-17(13(2)9-12)24-20-18(14-4-6-16(21)7-5-14)25-19-15(10-22)11-23-26(19)20/h3-9,11,23-24H,1-2H3
InChIKeyHHCNAJJLDFTOGB-UHFFFAOYSA-N
XLogP5.21
TPSA68.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.84
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The IUPAC name of 2-(4-chlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (CID 67284251) is 2-(4-chlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The canonical SMILES for 2-(4-chlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is Cc1ccc(Nc2c(-c3ccc(Cl)cc3)nc3c(C#N)c[nH]n23)c(C)c1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The InChIKey is HHCNAJJLDFTOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5/c1-12-3-8-17(13(2)9-12)24-20-18(14-4-6-16(21)7-5-14)25-19-15(10-22)11-23-26(19)20/h3-9,11,23-24H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
2-(4-chlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile has a molecular weight of 361.84 g/mol, XLogP of 5.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(2,4-dimethylanilino)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is sourced from PubChem (CID 67284251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).