3,4-dimethyl-1,5-diphenylimidazo[4,5-d]pyrazole

C18H16N4 — CID 57380254

IUPAC3,4-dimethyl-1,5-diphenylimidazo[4,5-d]pyrazole
SMILESCc1nn(-c2ccccc2)c2nc(-c3ccccc3)n(C)c12
InChIInChI=1S/C18H16N4/c1-13-16-18(22(20-13)15-11-7-4-8-12-15)19-17(21(16)2)14-9-5-3-6-10-14/h3-12H,1-2H3
InChIKeyRQZMYKRBFRKKGJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.73
Rot. Bonds2

About 3,4-dimethyl-1,5-diphenylimidazo[4,5-d]pyrazole

3,4-dimethyl-1,5-diphenylimidazo[4,5-d]pyrazole (PubChem CID 57380254) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3,4-dimethyl-1,5-diphenylimidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name3,4-dimethyl-1,5-diphenylimidazo[4,5-d]pyrazole
PubChem CID57380254
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name3,4-dimethyl-1,5-diphenylimidazo[4,5-d]pyrazole
SMILESCc1nn(-c2ccccc2)c2nc(-c3ccccc3)n(C)c12
InChIInChI=1S/C18H16N4/c1-13-16-18(22(20-13)15-11-7-4-8-12-15)19-17(21(16)2)14-9-5-3-6-10-14/h3-12H,1-2H3
InChIKeyRQZMYKRBFRKKGJ-UHFFFAOYSA-N
XLogP3.73
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1,5-diphenylimidazo[4,5-d]pyrazole?
The IUPAC name of 3,4-dimethyl-1,5-diphenylimidazo[4,5-d]pyrazole (CID 57380254) is 3,4-dimethyl-1,5-diphenylimidazo[4,5-d]pyrazole.
What is the SMILES notation for 3,4-dimethyl-1,5-diphenylimidazo[4,5-d]pyrazole?
The canonical SMILES for 3,4-dimethyl-1,5-diphenylimidazo[4,5-d]pyrazole is Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)n(C)c12.
What is the InChIKey of 3,4-dimethyl-1,5-diphenylimidazo[4,5-d]pyrazole?
The InChIKey is RQZMYKRBFRKKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-13-16-18(22(20-13)15-11-7-4-8-12-15)19-17(21(16)2)14-9-5-3-6-10-14/h3-12H,1-2H3.
What are the key properties of 3,4-dimethyl-1,5-diphenylimidazo[4,5-d]pyrazole?
3,4-dimethyl-1,5-diphenylimidazo[4,5-d]pyrazole has a molecular weight of 288.35 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1,5-diphenylimidazo[4,5-d]pyrazole is sourced from PubChem (CID 57380254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).