1,3,4-trimethyl-5-(4-methylphenyl)imidazo[4,5-d]pyrazole

C14H16N4 — CID 57380258

IUPAC1,3,4-trimethyl-5-(4-methylphenyl)imidazo[4,5-d]pyrazole
SMILESCc1ccc(-c2nc3c(c(C)nn3C)n2C)cc1
InChIInChI=1S/C14H16N4/c1-9-5-7-11(8-6-9)13-15-14-12(17(13)3)10(2)16-18(14)4/h5-8H,1-4H3
InChIKeyXIKARNBBLLKKMZ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.59
Rot. Bonds1

About 1,3,4-trimethyl-5-(4-methylphenyl)imidazo[4,5-d]pyrazole

1,3,4-trimethyl-5-(4-methylphenyl)imidazo[4,5-d]pyrazole (PubChem CID 57380258) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1,3,4-trimethyl-5-(4-methylphenyl)imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name1,3,4-trimethyl-5-(4-methylphenyl)imidazo[4,5-d]pyrazole
PubChem CID57380258
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1,3,4-trimethyl-5-(4-methylphenyl)imidazo[4,5-d]pyrazole
SMILESCc1ccc(-c2nc3c(c(C)nn3C)n2C)cc1
InChIInChI=1S/C14H16N4/c1-9-5-7-11(8-6-9)13-15-14-12(17(13)3)10(2)16-18(14)4/h5-8H,1-4H3
InChIKeyXIKARNBBLLKKMZ-UHFFFAOYSA-N
XLogP2.59
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.59
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-(4-methylphenyl)imidazo[4,5-d]pyrazole?
The IUPAC name of 1,3,4-trimethyl-5-(4-methylphenyl)imidazo[4,5-d]pyrazole (CID 57380258) is 1,3,4-trimethyl-5-(4-methylphenyl)imidazo[4,5-d]pyrazole.
What is the SMILES notation for 1,3,4-trimethyl-5-(4-methylphenyl)imidazo[4,5-d]pyrazole?
The canonical SMILES for 1,3,4-trimethyl-5-(4-methylphenyl)imidazo[4,5-d]pyrazole is Cc1ccc(-c2nc3c(c(C)nn3C)n2C)cc1.
What is the InChIKey of 1,3,4-trimethyl-5-(4-methylphenyl)imidazo[4,5-d]pyrazole?
The InChIKey is XIKARNBBLLKKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-9-5-7-11(8-6-9)13-15-14-12(17(13)3)10(2)16-18(14)4/h5-8H,1-4H3.
What are the key properties of 1,3,4-trimethyl-5-(4-methylphenyl)imidazo[4,5-d]pyrazole?
1,3,4-trimethyl-5-(4-methylphenyl)imidazo[4,5-d]pyrazole has a molecular weight of 240.31 g/mol, XLogP of 2.59, 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-(4-methylphenyl)imidazo[4,5-d]pyrazole is sourced from PubChem (CID 57380258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).