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

C20H18N6O — CID 135882175

IUPAC1-[(5-methylfuran-2-yl)methyl]-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole
SMILESCc1ccc(Cn2ncc3[nH]c(-c4ccccc4Cn4cccn4)nc32)o1
InChIInChI=1S/C20H18N6O/c1-14-7-8-16(27-14)13-26-20-18(11-22-26)23-19(24-20)17-6-3-2-5-15(17)12-25-10-4-9-21-25/h2-11H,12-13H2,1H3,(H,23,24)
InChIKeyAJWBZCSXVVDEKR-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.62
Rot. Bonds5

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

1-[(5-methylfuran-2-yl)methyl]-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole (PubChem CID 135882175) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-[(5-methylfuran-2-yl)methyl]-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name1-[(5-methylfuran-2-yl)methyl]-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole
PubChem CID135882175
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name1-[(5-methylfuran-2-yl)methyl]-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole
SMILESCc1ccc(Cn2ncc3[nH]c(-c4ccccc4Cn4cccn4)nc32)o1
InChIInChI=1S/C20H18N6O/c1-14-7-8-16(27-14)13-26-20-18(11-22-26)23-19(24-20)17-6-3-2-5-15(17)12-25-10-4-9-21-25/h2-11H,12-13H2,1H3,(H,23,24)
InChIKeyAJWBZCSXVVDEKR-UHFFFAOYSA-N
XLogP3.62
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(5-methylfuran-2-yl)methyl]-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole (CID 135882175) is 1-[(5-methylfuran-2-yl)methyl]-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 1-[(5-methylfuran-2-yl)methyl]-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 1-[(5-methylfuran-2-yl)methyl]-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole is Cc1ccc(Cn2ncc3[nH]c(-c4ccccc4Cn4cccn4)nc32)o1.
What is the InChIKey of 1-[(5-methylfuran-2-yl)methyl]-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole?
The InChIKey is AJWBZCSXVVDEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-14-7-8-16(27-14)13-26-20-18(11-22-26)23-19(24-20)17-6-3-2-5-15(17)12-25-10-4-9-21-25/h2-11H,12-13H2,1H3,(H,23,24).
What are the key properties of 1-[(5-methylfuran-2-yl)methyl]-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole?
1-[(5-methylfuran-2-yl)methyl]-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole has a molecular weight of 358.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylfuran-2-yl)methyl]-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135882175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).