1-(furan-2-ylmethyl)-5-(3-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole

C18H14N6O — CID 135876479

IUPAC1-(furan-2-ylmethyl)-5-(3-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole
SMILESc1cc(-c2nc3c(cnn3Cc3ccco3)[nH]2)cc(-n2cccn2)c1
InChIInChI=1S/C18H14N6O/c1-4-13(10-14(5-1)23-8-3-7-19-23)17-21-16-11-20-24(18(16)22-17)12-15-6-2-9-25-15/h1-11H,12H2,(H,21,22)
InChIKeyGDFXOXGAVYOGDS-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.25
Rot. Bonds4

About 1-(furan-2-ylmethyl)-5-(3-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole

1-(furan-2-ylmethyl)-5-(3-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole (PubChem CID 135876479) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-5-(3-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-5-(3-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole
PubChem CID135876479
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Name1-(furan-2-ylmethyl)-5-(3-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole
SMILESc1cc(-c2nc3c(cnn3Cc3ccco3)[nH]2)cc(-n2cccn2)c1
InChIInChI=1S/C18H14N6O/c1-4-13(10-14(5-1)23-8-3-7-19-23)17-21-16-11-20-24(18(16)22-17)12-15-6-2-9-25-15/h1-11H,12H2,(H,21,22)
InChIKeyGDFXOXGAVYOGDS-UHFFFAOYSA-N
XLogP3.25
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)imidazol-2-yl]-4H-imidazo[4,5-d]pyrazole
CID 135908047
5-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-1-(furan-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole
CID 135882188
N-(furan-2-ylmethyl)-3-pyrazol-1-ylaniline
CID 43739947
1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole
CID 138572768
1-[(5-methylfuran-2-yl)methyl]-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole
CID 135882175
1-propan-2-yl-5-(4-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole
CID 135915548
1-[2-(furan-2-yl)ethyl]-2-(4-pyrazol-1-ylphenyl)imidazole
CID 56879404
1-(furan-2-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 72886430
(3-pyrazol-1-ylphenyl)methylazanium
CID 3258757
2-[(3-pyrazol-1-ylphenyl)methyl]guanidine
CID 111425032
1-(pyridin-3-ylmethyl)-5-(4-pyridin-2-ylphenyl)-4H-imidazo[4,5-d]pyrazole
CID 135988287
1-phenyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-4H-imidazo[4,5-d]pyrazole
CID 135858669

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-5-(3-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 1-(furan-2-ylmethyl)-5-(3-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole (CID 135876479) is 1-(furan-2-ylmethyl)-5-(3-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 1-(furan-2-ylmethyl)-5-(3-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 1-(furan-2-ylmethyl)-5-(3-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole is c1cc(-c2nc3c(cnn3Cc3ccco3)[nH]2)cc(-n2cccn2)c1.
What is the InChIKey of 1-(furan-2-ylmethyl)-5-(3-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole?
The InChIKey is GDFXOXGAVYOGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O/c1-4-13(10-14(5-1)23-8-3-7-19-23)17-21-16-11-20-24(18(16)22-17)12-15-6-2-9-25-15/h1-11H,12H2,(H,21,22).
What are the key properties of 1-(furan-2-ylmethyl)-5-(3-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole?
1-(furan-2-ylmethyl)-5-(3-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole has a molecular weight of 330.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-5-(3-pyrazol-1-ylphenyl)-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135876479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).