1-(2,4-dimethylphenyl)-6-pyrimidin-5-ylimidazo[2,1-e]pyrazole

C17H15N5 — CID 141384337

IUPAC1-(2,4-dimethylphenyl)-6-pyrimidin-5-ylimidazo[2,1-e]pyrazole
SMILESCc1ccc(-n2ccn3nc(-c4cncnc4)cc23)c(C)c1
InChIInChI=1S/C17H15N5/c1-12-3-4-16(13(2)7-12)21-5-6-22-17(21)8-15(20-22)14-9-18-11-19-10-14/h3-11H,1-2H3
InChIKeyOEAXHSWEEZNFHH-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.20
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-6-pyrimidin-5-ylimidazo[2,1-e]pyrazole

1-(2,4-dimethylphenyl)-6-pyrimidin-5-ylimidazo[2,1-e]pyrazole (PubChem CID 141384337) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-6-pyrimidin-5-ylimidazo[2,1-e]pyrazole.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-6-pyrimidin-5-ylimidazo[2,1-e]pyrazole
PubChem CID141384337
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name1-(2,4-dimethylphenyl)-6-pyrimidin-5-ylimidazo[2,1-e]pyrazole
SMILESCc1ccc(-n2ccn3nc(-c4cncnc4)cc23)c(C)c1
InChIInChI=1S/C17H15N5/c1-12-3-4-16(13(2)7-12)21-5-6-22-17(21)8-15(20-22)14-9-18-11-19-10-14/h3-11H,1-2H3
InChIKeyOEAXHSWEEZNFHH-UHFFFAOYSA-N
XLogP3.20
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-6-pyrimidin-5-ylimidazo[2,1-e]pyrazole?
The IUPAC name of 1-(2,4-dimethylphenyl)-6-pyrimidin-5-ylimidazo[2,1-e]pyrazole (CID 141384337) is 1-(2,4-dimethylphenyl)-6-pyrimidin-5-ylimidazo[2,1-e]pyrazole.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-6-pyrimidin-5-ylimidazo[2,1-e]pyrazole?
The canonical SMILES for 1-(2,4-dimethylphenyl)-6-pyrimidin-5-ylimidazo[2,1-e]pyrazole is Cc1ccc(-n2ccn3nc(-c4cncnc4)cc23)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-6-pyrimidin-5-ylimidazo[2,1-e]pyrazole?
The InChIKey is OEAXHSWEEZNFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-12-3-4-16(13(2)7-12)21-5-6-22-17(21)8-15(20-22)14-9-18-11-19-10-14/h3-11H,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-6-pyrimidin-5-ylimidazo[2,1-e]pyrazole?
1-(2,4-dimethylphenyl)-6-pyrimidin-5-ylimidazo[2,1-e]pyrazole has a molecular weight of 289.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-6-pyrimidin-5-ylimidazo[2,1-e]pyrazole is sourced from PubChem (CID 141384337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).