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

C13H14ClN5O — CID 107622319

IUPAC6-(4-chloro-3-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
SMILESCOc1cc(-n2c(N)nc3c(C)nn(C)c32)ccc1Cl
InChIInChI=1S/C13H14ClN5O/c1-7-11-12(18(2)17-7)19(13(15)16-11)8-4-5-9(14)10(6-8)20-3/h4-6H,1-3H3,(H2,15,16)
InChIKeyQAUSRPKNEYZUJY-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.31
Rot. Bonds2

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

6-(4-chloro-3-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 107622319) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is 6-(4-chloro-3-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-(4-chloro-3-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
PubChem CID107622319
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC Name6-(4-chloro-3-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
SMILESCOc1cc(-n2c(N)nc3c(C)nn(C)c32)ccc1Cl
InChIInChI=1S/C13H14ClN5O/c1-7-11-12(18(2)17-7)19(13(15)16-11)8-4-5-9(14)10(6-8)20-3/h4-6H,1-3H3,(H2,15,16)
InChIKeyQAUSRPKNEYZUJY-UHFFFAOYSA-N
XLogP2.31
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-chloro-3-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-chloro-3-methoxyphenyl)-5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 107622373
6-(3-fluoro-4-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297559
6-(3-chloro-4-methoxyphenyl)-5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79275792
6-(5-bromo-2-chlorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297644
6-[3-(methoxymethyl)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79296857
6-(2,6-dichloro-4-fluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 83079126
6-(5-chloro-2-fluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297631
6-[3-(dimethylamino)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 115378694
5-(2-chloroethyl)-6-(3,4-dichlorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79273150
2-amino-1-(4-chloro-3-methoxyphenyl)benzimidazole-4-carbonitrile
CID 107622292
6-(3-chloro-4-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79280827
6-(4-bromo-3-chlorophenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 107613979

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-(4-chloro-3-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine (CID 107622319) is 6-(4-chloro-3-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-(4-chloro-3-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-(4-chloro-3-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine is COc1cc(-n2c(N)nc3c(C)nn(C)c32)ccc1Cl.
What is the InChIKey of 6-(4-chloro-3-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is QAUSRPKNEYZUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O/c1-7-11-12(18(2)17-7)19(13(15)16-11)8-4-5-9(14)10(6-8)20-3/h4-6H,1-3H3,(H2,15,16).
What are the key properties of 6-(4-chloro-3-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
6-(4-chloro-3-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 291.74 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 107622319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).