1-phenyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole

C20H16N6 — CID 135858669

IUPAC1-phenyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole
SMILESc1ccc(-n2ncc3[nH]c(-c4ccccc4Cn4cccn4)nc32)cc1
InChIInChI=1S/C20H16N6/c1-2-8-16(9-3-1)26-20-18(13-22-26)23-19(24-20)17-10-5-4-7-15(17)14-25-12-6-11-21-25/h1-13H,14H2,(H,23,24)
InChIKeyWDQFORRCMXVCGH-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.66
Rot. Bonds4

About 1-phenyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole

1-phenyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole (PubChem CID 135858669) has the molecular formula C20H16N6 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-phenyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name1-phenyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole
PubChem CID135858669
Molecular FormulaC20H16N6
Molecular Weight340.39 g/mol
Exact Mass340.14
IUPAC Name1-phenyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole
SMILESc1ccc(-n2ncc3[nH]c(-c4ccccc4Cn4cccn4)nc32)cc1
InChIInChI=1S/C20H16N6/c1-2-8-16(9-3-1)26-20-18(13-22-26)23-19(24-20)17-10-5-4-7-15(17)14-25-12-6-11-21-25/h1-13H,14H2,(H,23,24)
InChIKeyWDQFORRCMXVCGH-UHFFFAOYSA-N
XLogP3.66
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-methylfuran-2-yl)methyl]-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole
CID 135882175
5-(1-methyl-3-phenylpyrazol-4-yl)-1-phenyl-4H-imidazo[4,5-d]pyrazole
CID 135966336
4-(chloromethyl)-2-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole
CID 43138436
1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole
CID 101492467
4-benzyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole
CID 163305968
2-(1,5-diphenylpyrazol-4-yl)-1H-benzimidazole
CID 15468395
2-[2-(pyrazol-1-ylmethyl)phenyl]isoindole-1,3-dione
CID 168519794
N-cyclopentyl-2-(pyrazol-1-ylmethyl)aniline
CID 43693822
1-(furan-2-ylmethyl)-5-(3-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole
CID 135876479
1-propan-2-yl-5-(4-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole
CID 135915548
N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55991421
2-[5-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]benzimidazol-1-yl]ethanol
CID 138808259

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 1-phenyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole (CID 135858669) is 1-phenyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 1-phenyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 1-phenyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole is c1ccc(-n2ncc3[nH]c(-c4ccccc4Cn4cccn4)nc32)cc1.
What is the InChIKey of 1-phenyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole?
The InChIKey is WDQFORRCMXVCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6/c1-2-8-16(9-3-1)26-20-18(13-22-26)23-19(24-20)17-10-5-4-7-15(17)14-25-12-6-11-21-25/h1-13H,14H2,(H,23,24).
What are the key properties of 1-phenyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole?
1-phenyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole has a molecular weight of 340.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135858669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).