6-(3-fluoro-4-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine

C13H14FN5O — CID 79297559

IUPAC6-(3-fluoro-4-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
SMILESCOc1ccc(-n2c(N)nc3c(C)nn(C)c32)cc1F
InChIInChI=1S/C13H14FN5O/c1-7-11-12(18(2)17-7)19(13(15)16-11)8-4-5-10(20-3)9(14)6-8/h4-6H,1-3H3,(H2,15,16)
InChIKeyBWVYUISSTDODMG-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.80
Rot. Bonds2

About 6-(3-fluoro-4-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine

6-(3-fluoro-4-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79297559) has the molecular formula C13H14FN5O and a molecular weight of 275.29 g/mol. Its IUPAC name is 6-(3-fluoro-4-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-(3-fluoro-4-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79297559
Molecular FormulaC13H14FN5O
Molecular Weight275.29 g/mol
Exact Mass275.12
IUPAC Name6-(3-fluoro-4-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
SMILESCOc1ccc(-n2c(N)nc3c(C)nn(C)c32)cc1F
InChIInChI=1S/C13H14FN5O/c1-7-11-12(18(2)17-7)19(13(15)16-11)8-4-5-10(20-3)9(14)6-8/h4-6H,1-3H3,(H2,15,16)
InChIKeyBWVYUISSTDODMG-UHFFFAOYSA-N
XLogP1.80
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine (CID 79297559) is 6-(3-fluoro-4-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-(3-fluoro-4-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-(3-fluoro-4-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine is COc1ccc(-n2c(N)nc3c(C)nn(C)c32)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is BWVYUISSTDODMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O/c1-7-11-12(18(2)17-7)19(13(15)16-11)8-4-5-10(20-3)9(14)6-8/h4-6H,1-3H3,(H2,15,16).
What are the key properties of 6-(3-fluoro-4-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
6-(3-fluoro-4-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 275.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79297559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).