6-[3-(dimethylamino)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine

C14H18N6 — CID 115378694

IUPAC6-[3-(dimethylamino)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
SMILESCc1nn(C)c2c1nc(N)n2-c1cccc(N(C)C)c1
InChIInChI=1S/C14H18N6/c1-9-12-13(19(4)17-9)20(14(15)16-12)11-7-5-6-10(8-11)18(2)3/h5-8H,1-4H3,(H2,15,16)
InChIKeyCHLJDBFZMZQDPR-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.72
Rot. Bonds2

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

6-[3-(dimethylamino)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 115378694) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 6-[3-(dimethylamino)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-[3-(dimethylamino)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
PubChem CID115378694
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name6-[3-(dimethylamino)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
SMILESCc1nn(C)c2c1nc(N)n2-c1cccc(N(C)C)c1
InChIInChI=1S/C14H18N6/c1-9-12-13(19(4)17-9)20(14(15)16-12)11-7-5-6-10(8-11)18(2)3/h5-8H,1-4H3,(H2,15,16)
InChIKeyCHLJDBFZMZQDPR-UHFFFAOYSA-N
XLogP1.72
TPSA64.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-(methoxymethyl)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79296857
6-(3-fluoro-4-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297559
6-(4-chloro-3-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 107622319
6-(5-chloro-2-fluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297631
5,6-dichloro-1-[3-(dimethylamino)phenyl]benzimidazol-2-amine
CID 115378675
6-(2,5-difluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297421
6-N,6-N,1,3-tetramethylimidazo[4,5-d]pyrazole-5,6-diamine
CID 83019391
3-ethyl-1-methyl-6-(3-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine
CID 79279585
6-(5-bromo-2-chlorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297644
6-(2,6-dichloro-4-fluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 83079126
6-(3-methoxyphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79281273
6-[2-(difluoromethylsulfanyl)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79274577

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-[3-(dimethylamino)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine (CID 115378694) is 6-[3-(dimethylamino)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-[3-(dimethylamino)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-[3-(dimethylamino)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine is Cc1nn(C)c2c1nc(N)n2-c1cccc(N(C)C)c1.
What is the InChIKey of 6-[3-(dimethylamino)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is CHLJDBFZMZQDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-9-12-13(19(4)17-9)20(14(15)16-12)11-7-5-6-10(8-11)18(2)3/h5-8H,1-4H3,(H2,15,16).
What are the key properties of 6-[3-(dimethylamino)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
6-[3-(dimethylamino)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 270.34 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 115378694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).