1-cyclopentyl-5-(furan-3-yl)-3-methyl-4H-imidazo[4,5-d]pyrazole

C14H16N4O — CID 135857529

IUPAC1-cyclopentyl-5-(furan-3-yl)-3-methyl-4H-imidazo[4,5-d]pyrazole
SMILESCc1nn(C2CCCC2)c2nc(-c3ccoc3)[nH]c12
InChIInChI=1S/C14H16N4O/c1-9-12-14(18(17-9)11-4-2-3-5-11)16-13(15-12)10-6-7-19-8-10/h6-8,11H,2-5H2,1H3,(H,15,16)
InChIKeyOPLGCLOCXIXFPJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.44
Rot. Bonds2

About 1-cyclopentyl-5-(furan-3-yl)-3-methyl-4H-imidazo[4,5-d]pyrazole

1-cyclopentyl-5-(furan-3-yl)-3-methyl-4H-imidazo[4,5-d]pyrazole (PubChem CID 135857529) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-cyclopentyl-5-(furan-3-yl)-3-methyl-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name1-cyclopentyl-5-(furan-3-yl)-3-methyl-4H-imidazo[4,5-d]pyrazole
PubChem CID135857529
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-cyclopentyl-5-(furan-3-yl)-3-methyl-4H-imidazo[4,5-d]pyrazole
SMILESCc1nn(C2CCCC2)c2nc(-c3ccoc3)[nH]c12
InChIInChI=1S/C14H16N4O/c1-9-12-14(18(17-9)11-4-2-3-5-11)16-13(15-12)10-6-7-19-8-10/h6-8,11H,2-5H2,1H3,(H,15,16)
InChIKeyOPLGCLOCXIXFPJ-UHFFFAOYSA-N
XLogP3.44
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-(furan-3-yl)-3-methyl-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 1-cyclopentyl-5-(furan-3-yl)-3-methyl-4H-imidazo[4,5-d]pyrazole (CID 135857529) is 1-cyclopentyl-5-(furan-3-yl)-3-methyl-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 1-cyclopentyl-5-(furan-3-yl)-3-methyl-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 1-cyclopentyl-5-(furan-3-yl)-3-methyl-4H-imidazo[4,5-d]pyrazole is Cc1nn(C2CCCC2)c2nc(-c3ccoc3)[nH]c12.
What is the InChIKey of 1-cyclopentyl-5-(furan-3-yl)-3-methyl-4H-imidazo[4,5-d]pyrazole?
The InChIKey is OPLGCLOCXIXFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-12-14(18(17-9)11-4-2-3-5-11)16-13(15-12)10-6-7-19-8-10/h6-8,11H,2-5H2,1H3,(H,15,16).
What are the key properties of 1-cyclopentyl-5-(furan-3-yl)-3-methyl-4H-imidazo[4,5-d]pyrazole?
1-cyclopentyl-5-(furan-3-yl)-3-methyl-4H-imidazo[4,5-d]pyrazole has a molecular weight of 256.31 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-(furan-3-yl)-3-methyl-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135857529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).