5-(1-methyl-3-phenylpyrazol-4-yl)-1-phenyl-4H-imidazo[4,5-d]pyrazole

C20H16N6 — CID 135966336

IUPAC5-(1-methyl-3-phenylpyrazol-4-yl)-1-phenyl-4H-imidazo[4,5-d]pyrazole
SMILESCn1cc(-c2nc3c(cnn3-c3ccccc3)[nH]2)c(-c2ccccc2)n1
InChIInChI=1S/C20H16N6/c1-25-13-16(18(24-25)14-8-4-2-5-9-14)19-22-17-12-21-26(20(17)23-19)15-10-6-3-7-11-15/h2-13H,1H3,(H,22,23)
InChIKeyAJCHWBQEZFFDHT-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.82
Rot. Bonds3

About 5-(1-methyl-3-phenylpyrazol-4-yl)-1-phenyl-4H-imidazo[4,5-d]pyrazole

5-(1-methyl-3-phenylpyrazol-4-yl)-1-phenyl-4H-imidazo[4,5-d]pyrazole (PubChem CID 135966336) has the molecular formula C20H16N6 and a molecular weight of 340.39 g/mol. Its IUPAC name is 5-(1-methyl-3-phenylpyrazol-4-yl)-1-phenyl-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(1-methyl-3-phenylpyrazol-4-yl)-1-phenyl-4H-imidazo[4,5-d]pyrazole
PubChem CID135966336
Molecular FormulaC20H16N6
Molecular Weight340.39 g/mol
Exact Mass340.14
IUPAC Name5-(1-methyl-3-phenylpyrazol-4-yl)-1-phenyl-4H-imidazo[4,5-d]pyrazole
SMILESCn1cc(-c2nc3c(cnn3-c3ccccc3)[nH]2)c(-c2ccccc2)n1
InChIInChI=1S/C20H16N6/c1-25-13-16(18(24-25)14-8-4-2-5-9-14)19-22-17-12-21-26(20(17)23-19)15-10-6-3-7-11-15/h2-13H,1H3,(H,22,23)
InChIKeyAJCHWBQEZFFDHT-UHFFFAOYSA-N
XLogP3.82
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-3-phenylpyrazol-4-yl)-1-phenyl-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 5-(1-methyl-3-phenylpyrazol-4-yl)-1-phenyl-4H-imidazo[4,5-d]pyrazole (CID 135966336) is 5-(1-methyl-3-phenylpyrazol-4-yl)-1-phenyl-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(1-methyl-3-phenylpyrazol-4-yl)-1-phenyl-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(1-methyl-3-phenylpyrazol-4-yl)-1-phenyl-4H-imidazo[4,5-d]pyrazole is Cn1cc(-c2nc3c(cnn3-c3ccccc3)[nH]2)c(-c2ccccc2)n1.
What is the InChIKey of 5-(1-methyl-3-phenylpyrazol-4-yl)-1-phenyl-4H-imidazo[4,5-d]pyrazole?
The InChIKey is AJCHWBQEZFFDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6/c1-25-13-16(18(24-25)14-8-4-2-5-9-14)19-22-17-12-21-26(20(17)23-19)15-10-6-3-7-11-15/h2-13H,1H3,(H,22,23).
What are the key properties of 5-(1-methyl-3-phenylpyrazol-4-yl)-1-phenyl-4H-imidazo[4,5-d]pyrazole?
5-(1-methyl-3-phenylpyrazol-4-yl)-1-phenyl-4H-imidazo[4,5-d]pyrazole has a molecular weight of 340.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-3-phenylpyrazol-4-yl)-1-phenyl-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135966336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).