1-ethyl-3,5-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazole

C18H20N6O — CID 56876890

IUPAC1-ethyl-3,5-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazole
SMILESCCn1nc(C)c(Cn2ccnc2-c2ccc(-c3ccn[nH]3)o2)c1C
InChIInChI=1S/C18H20N6O/c1-4-24-13(3)14(12(2)22-24)11-23-10-9-19-18(23)17-6-5-16(25-17)15-7-8-20-21-15/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyCORRITFNTDJHBD-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.41
Rot. Bonds5

About 1-ethyl-3,5-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazole

1-ethyl-3,5-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazole (PubChem CID 56876890) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazole.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazole
PubChem CID56876890
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name1-ethyl-3,5-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazole
SMILESCCn1nc(C)c(Cn2ccnc2-c2ccc(-c3ccn[nH]3)o2)c1C
InChIInChI=1S/C18H20N6O/c1-4-24-13(3)14(12(2)22-24)11-23-10-9-19-18(23)17-6-5-16(25-17)15-7-8-20-21-15/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyCORRITFNTDJHBD-UHFFFAOYSA-N
XLogP3.41
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-3,5-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]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-ethyl-3,5-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazole?
The IUPAC name of 1-ethyl-3,5-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazole (CID 56876890) is 1-ethyl-3,5-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazole.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazole?
The canonical SMILES for 1-ethyl-3,5-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazole is CCn1nc(C)c(Cn2ccnc2-c2ccc(-c3ccn[nH]3)o2)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazole?
The InChIKey is CORRITFNTDJHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-4-24-13(3)14(12(2)22-24)11-23-10-9-19-18(23)17-6-5-16(25-17)15-7-8-20-21-15/h5-10H,4,11H2,1-3H3,(H,20,21).
What are the key properties of 1-ethyl-3,5-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazole?
1-ethyl-3,5-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazole has a molecular weight of 336.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-4-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazole is sourced from PubChem (CID 56876890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).