5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propyl-4H-imidazo[4,5-d]pyrazole

C16H18N4O2 — CID 135910842

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propyl-4H-imidazo[4,5-d]pyrazole
SMILESCCCn1nc(C)c2[nH]c(-c3ccc4c(c3)OCCO4)nc21
InChIInChI=1S/C16H18N4O2/c1-3-6-20-16-14(10(2)19-20)17-15(18-16)11-4-5-12-13(9-11)22-8-7-21-12/h4-5,9H,3,6-8H2,1-2H3,(H,17,18)
InChIKeyFCLUVZFORNHARG-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.92
Rot. Bonds3

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propyl-4H-imidazo[4,5-d]pyrazole

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propyl-4H-imidazo[4,5-d]pyrazole (PubChem CID 135910842) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propyl-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propyl-4H-imidazo[4,5-d]pyrazole
PubChem CID135910842
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propyl-4H-imidazo[4,5-d]pyrazole
SMILESCCCn1nc(C)c2[nH]c(-c3ccc4c(c3)OCCO4)nc21
InChIInChI=1S/C16H18N4O2/c1-3-6-20-16-14(10(2)19-20)17-15(18-16)11-4-5-12-13(9-11)22-8-7-21-12/h4-5,9H,3,6-8H2,1-2H3,(H,17,18)
InChIKeyFCLUVZFORNHARG-UHFFFAOYSA-N
XLogP2.92
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propyl-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propyl-4H-imidazo[4,5-d]pyrazole (CID 135910842) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propyl-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propyl-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propyl-4H-imidazo[4,5-d]pyrazole is CCCn1nc(C)c2[nH]c(-c3ccc4c(c3)OCCO4)nc21.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propyl-4H-imidazo[4,5-d]pyrazole?
The InChIKey is FCLUVZFORNHARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-3-6-20-16-14(10(2)19-20)17-15(18-16)11-4-5-12-13(9-11)22-8-7-21-12/h4-5,9H,3,6-8H2,1-2H3,(H,17,18).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propyl-4H-imidazo[4,5-d]pyrazole?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propyl-4H-imidazo[4,5-d]pyrazole has a molecular weight of 298.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propyl-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135910842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).