1-phenyl-4H-imidazo[4,5-d]pyrazole

C10H8N4 — CID 136601546

IUPAC1-phenyl-4H-imidazo[4,5-d]pyrazole
SMILESc1ccc(-n2ncc3[nH]cnc32)cc1
InChIInChI=1S/C10H8N4/c1-2-4-8(5-3-1)14-10-9(6-13-14)11-7-12-10/h1-7H,(H,11,12)
InChIKeyRDHZQZQEXSIUBI-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.75
Rot. Bonds1

About 1-phenyl-4H-imidazo[4,5-d]pyrazole

1-phenyl-4H-imidazo[4,5-d]pyrazole (PubChem CID 136601546) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 1-phenyl-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name1-phenyl-4H-imidazo[4,5-d]pyrazole
PubChem CID136601546
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name1-phenyl-4H-imidazo[4,5-d]pyrazole
SMILESc1ccc(-n2ncc3[nH]cnc32)cc1
InChIInChI=1S/C10H8N4/c1-2-4-8(5-3-1)14-10-9(6-13-14)11-7-12-10/h1-7H,(H,11,12)
InChIKeyRDHZQZQEXSIUBI-UHFFFAOYSA-N
XLogP1.75
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 1-phenyl-4H-imidazo[4,5-d]pyrazole (CID 136601546) is 1-phenyl-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 1-phenyl-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 1-phenyl-4H-imidazo[4,5-d]pyrazole is c1ccc(-n2ncc3[nH]cnc32)cc1.
What is the InChIKey of 1-phenyl-4H-imidazo[4,5-d]pyrazole?
The InChIKey is RDHZQZQEXSIUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c1-2-4-8(5-3-1)14-10-9(6-13-14)11-7-12-10/h1-7H,(H,11,12).
What are the key properties of 1-phenyl-4H-imidazo[4,5-d]pyrazole?
1-phenyl-4H-imidazo[4,5-d]pyrazole has a molecular weight of 184.20 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 136601546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).