1-ethyl-5-(5-propylfuran-2-yl)-4H-imidazo[4,5-d]pyrazole

C13H16N4O — CID 135860401

IUPAC1-ethyl-5-(5-propylfuran-2-yl)-4H-imidazo[4,5-d]pyrazole
SMILESCCCc1ccc(-c2nc3c(cnn3CC)[nH]2)o1
InChIInChI=1S/C13H16N4O/c1-3-5-9-6-7-11(18-9)12-15-10-8-14-17(4-2)13(10)16-12/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyQCXRSEGGFATCCB-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.99
Rot. Bonds4

About 1-ethyl-5-(5-propylfuran-2-yl)-4H-imidazo[4,5-d]pyrazole

1-ethyl-5-(5-propylfuran-2-yl)-4H-imidazo[4,5-d]pyrazole (PubChem CID 135860401) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-ethyl-5-(5-propylfuran-2-yl)-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name1-ethyl-5-(5-propylfuran-2-yl)-4H-imidazo[4,5-d]pyrazole
PubChem CID135860401
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-ethyl-5-(5-propylfuran-2-yl)-4H-imidazo[4,5-d]pyrazole
SMILESCCCc1ccc(-c2nc3c(cnn3CC)[nH]2)o1
InChIInChI=1S/C13H16N4O/c1-3-5-9-6-7-11(18-9)12-15-10-8-14-17(4-2)13(10)16-12/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyQCXRSEGGFATCCB-UHFFFAOYSA-N
XLogP2.99
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(5-propylfuran-2-yl)-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 1-ethyl-5-(5-propylfuran-2-yl)-4H-imidazo[4,5-d]pyrazole (CID 135860401) is 1-ethyl-5-(5-propylfuran-2-yl)-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 1-ethyl-5-(5-propylfuran-2-yl)-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 1-ethyl-5-(5-propylfuran-2-yl)-4H-imidazo[4,5-d]pyrazole is CCCc1ccc(-c2nc3c(cnn3CC)[nH]2)o1.
What is the InChIKey of 1-ethyl-5-(5-propylfuran-2-yl)-4H-imidazo[4,5-d]pyrazole?
The InChIKey is QCXRSEGGFATCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-5-9-6-7-11(18-9)12-15-10-8-14-17(4-2)13(10)16-12/h6-8H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 1-ethyl-5-(5-propylfuran-2-yl)-4H-imidazo[4,5-d]pyrazole?
1-ethyl-5-(5-propylfuran-2-yl)-4H-imidazo[4,5-d]pyrazole has a molecular weight of 244.30 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(5-propylfuran-2-yl)-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135860401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).