1-[(3-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,2-b]pyrazole

C13H15N3O — CID 166379351

IUPAC1-[(3-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,2-b]pyrazole
SMILESCOc1cccc(CN2CCn3nccc32)c1
InChIInChI=1S/C13H15N3O/c1-17-12-4-2-3-11(9-12)10-15-7-8-16-13(15)5-6-14-16/h2-6,9H,7-8,10H2,1H3
InChIKeyMWGGJZHOAJSGAR-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.91
Rot. Bonds3

About 1-[(3-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,2-b]pyrazole

1-[(3-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,2-b]pyrazole (PubChem CID 166379351) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,2-b]pyrazole.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,2-b]pyrazole
PubChem CID166379351
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-[(3-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,2-b]pyrazole
SMILESCOc1cccc(CN2CCn3nccc32)c1
InChIInChI=1S/C13H15N3O/c1-17-12-4-2-3-11(9-12)10-15-7-8-16-13(15)5-6-14-16/h2-6,9H,7-8,10H2,1H3
InChIKeyMWGGJZHOAJSGAR-UHFFFAOYSA-N
XLogP1.91
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,2-b]pyrazole?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,2-b]pyrazole (CID 166379351) is 1-[(3-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,2-b]pyrazole.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,2-b]pyrazole?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,2-b]pyrazole is COc1cccc(CN2CCn3nccc32)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,2-b]pyrazole?
The InChIKey is MWGGJZHOAJSGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-17-12-4-2-3-11(9-12)10-15-7-8-16-13(15)5-6-14-16/h2-6,9H,7-8,10H2,1H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,2-b]pyrazole?
1-[(3-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,2-b]pyrazole has a molecular weight of 229.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,2-b]pyrazole is sourced from PubChem (CID 166379351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).