1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-amine

C12H14N4O — CID 58441203

IUPAC1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-amine
SMILESCOc1cccc(N2CCn3nc(N)cc32)c1
InChIInChI=1S/C12H14N4O/c1-17-10-4-2-3-9(7-10)15-5-6-16-12(15)8-11(13)14-16/h2-4,7-8H,5-6H2,1H3,(H2,13,14)
InChIKeyFWHCNPZLIARJAQ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.63
Rot. Bonds2

About 1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-amine

1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-amine (PubChem CID 58441203) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-amine
PubChem CID58441203
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-amine
SMILESCOc1cccc(N2CCn3nc(N)cc32)c1
InChIInChI=1S/C12H14N4O/c1-17-10-4-2-3-9(7-10)15-5-6-16-12(15)8-11(13)14-16/h2-4,7-8H,5-6H2,1H3,(H2,13,14)
InChIKeyFWHCNPZLIARJAQ-UHFFFAOYSA-N
XLogP1.63
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-amine?
The IUPAC name of 1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-amine (CID 58441203) is 1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-amine is COc1cccc(N2CCn3nc(N)cc32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-amine?
The InChIKey is FWHCNPZLIARJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-17-10-4-2-3-9(7-10)15-5-6-16-12(15)8-11(13)14-16/h2-4,7-8H,5-6H2,1H3,(H2,13,14).
What are the key properties of 1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-amine?
1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-amine has a molecular weight of 230.27 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-amine is sourced from PubChem (CID 58441203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).