1,3,4-trimethyl-5-phenylimidazo[4,5-d]pyrazole

C13H14N4 — CID 57380257

IUPAC1,3,4-trimethyl-5-phenylimidazo[4,5-d]pyrazole
SMILESCc1nn(C)c2nc(-c3ccccc3)n(C)c12
InChIInChI=1S/C13H14N4/c1-9-11-13(17(3)15-9)14-12(16(11)2)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKeyBJDWBLSLCKXLBE-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.28
Rot. Bonds1

About 1,3,4-trimethyl-5-phenylimidazo[4,5-d]pyrazole

1,3,4-trimethyl-5-phenylimidazo[4,5-d]pyrazole (PubChem CID 57380257) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1,3,4-trimethyl-5-phenylimidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name1,3,4-trimethyl-5-phenylimidazo[4,5-d]pyrazole
PubChem CID57380257
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name1,3,4-trimethyl-5-phenylimidazo[4,5-d]pyrazole
SMILESCc1nn(C)c2nc(-c3ccccc3)n(C)c12
InChIInChI=1S/C13H14N4/c1-9-11-13(17(3)15-9)14-12(16(11)2)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKeyBJDWBLSLCKXLBE-UHFFFAOYSA-N
XLogP2.28
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-5-phenylimidazo[4,5-d]pyrazole?
The IUPAC name of 1,3,4-trimethyl-5-phenylimidazo[4,5-d]pyrazole (CID 57380257) is 1,3,4-trimethyl-5-phenylimidazo[4,5-d]pyrazole.
What is the SMILES notation for 1,3,4-trimethyl-5-phenylimidazo[4,5-d]pyrazole?
The canonical SMILES for 1,3,4-trimethyl-5-phenylimidazo[4,5-d]pyrazole is Cc1nn(C)c2nc(-c3ccccc3)n(C)c12.
What is the InChIKey of 1,3,4-trimethyl-5-phenylimidazo[4,5-d]pyrazole?
The InChIKey is BJDWBLSLCKXLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-9-11-13(17(3)15-9)14-12(16(11)2)10-7-5-4-6-8-10/h4-8H,1-3H3.
What are the key properties of 1,3,4-trimethyl-5-phenylimidazo[4,5-d]pyrazole?
1,3,4-trimethyl-5-phenylimidazo[4,5-d]pyrazole has a molecular weight of 226.28 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-5-phenylimidazo[4,5-d]pyrazole is sourced from PubChem (CID 57380257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).