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

C18H20N6O — CID 56862617

IUPAC3,5-dimethyl-1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propyl]pyrazole
SMILESCc1cc(C)n(CC(C)n2ccnc2-c2ccc(-c3ccn[nH]3)o2)n1
InChIInChI=1S/C18H20N6O/c1-12-10-13(2)24(22-12)11-14(3)23-9-8-19-18(23)17-5-4-16(25-17)15-6-7-20-21-15/h4-10,14H,11H2,1-3H3,(H,20,21)
InChIKeyZDPQYICJOPEBID-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.61
Rot. Bonds5

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

3,5-dimethyl-1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propyl]pyrazole (PubChem CID 56862617) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 3,5-dimethyl-1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propyl]pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propyl]pyrazole
PubChem CID56862617
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name3,5-dimethyl-1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propyl]pyrazole
SMILESCc1cc(C)n(CC(C)n2ccnc2-c2ccc(-c3ccn[nH]3)o2)n1
InChIInChI=1S/C18H20N6O/c1-12-10-13(2)24(22-12)11-14(3)23-9-8-19-18(23)17-5-4-16(25-17)15-6-7-20-21-15/h4-10,14H,11H2,1-3H3,(H,20,21)
InChIKeyZDPQYICJOPEBID-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propyl]pyrazole?
The IUPAC name of 3,5-dimethyl-1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propyl]pyrazole (CID 56862617) is 3,5-dimethyl-1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propyl]pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propyl]pyrazole?
The canonical SMILES for 3,5-dimethyl-1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propyl]pyrazole is Cc1cc(C)n(CC(C)n2ccnc2-c2ccc(-c3ccn[nH]3)o2)n1.
What is the InChIKey of 3,5-dimethyl-1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propyl]pyrazole?
The InChIKey is ZDPQYICJOPEBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-10-13(2)24(22-12)11-14(3)23-9-8-19-18(23)17-5-4-16(25-17)15-6-7-20-21-15/h4-10,14H,11H2,1-3H3,(H,20,21).
What are the key properties of 3,5-dimethyl-1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propyl]pyrazole?
3,5-dimethyl-1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propyl]pyrazole has a molecular weight of 336.40 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propyl]pyrazole is sourced from PubChem (CID 56862617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).