1-(2-methoxyphenyl)-N,N-dimethyl-N'-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine

C18H23N5O — CID 133488403

IUPAC1-(2-methoxyphenyl)-N,N-dimethyl-N'-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine
SMILESCOc1ccccc1C(CNc1nccn2nc(C)cc12)N(C)C
InChIInChI=1S/C18H23N5O/c1-13-11-15-18(19-9-10-23(15)21-13)20-12-16(22(2)3)14-7-5-6-8-17(14)24-4/h5-11,16H,12H2,1-4H3,(H,19,20)
InChIKeyHYBUJDLHBJFADF-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.76
Rot. Bonds6

About 1-(2-methoxyphenyl)-N,N-dimethyl-N'-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine

1-(2-methoxyphenyl)-N,N-dimethyl-N'-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine (PubChem CID 133488403) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N,N-dimethyl-N'-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N,N-dimethyl-N'-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine
PubChem CID133488403
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-(2-methoxyphenyl)-N,N-dimethyl-N'-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine
SMILESCOc1ccccc1C(CNc1nccn2nc(C)cc12)N(C)C
InChIInChI=1S/C18H23N5O/c1-13-11-15-18(19-9-10-23(15)21-13)20-12-16(22(2)3)14-7-5-6-8-17(14)24-4/h5-11,16H,12H2,1-4H3,(H,19,20)
InChIKeyHYBUJDLHBJFADF-UHFFFAOYSA-N
XLogP2.76
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-fluorophenyl)-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethanol
CID 133489553
N-[2-(2-fluorophenoxy)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 133492586
N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 133492066
2-methyl-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731161
2-methyl-N-(3-phenoxypropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731310
N-[2-(2-methoxyphenoxy)ethyl]-N,2-dimethylpyrazolo[1,5-a]pyrazin-4-amine
CID 133490145
2-methyl-N-(2-propan-2-yloxyethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104762381
N-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730931
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 133489559
2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid
CID 104729342
N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 113446460
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol
CID 133489496

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N,N-dimethyl-N'-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-(2-methoxyphenyl)-N,N-dimethyl-N'-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine (CID 133488403) is 1-(2-methoxyphenyl)-N,N-dimethyl-N'-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N,N-dimethyl-N'-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N,N-dimethyl-N'-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine is COc1ccccc1C(CNc1nccn2nc(C)cc12)N(C)C.
What is the InChIKey of 1-(2-methoxyphenyl)-N,N-dimethyl-N'-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine?
The InChIKey is HYBUJDLHBJFADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13-11-15-18(19-9-10-23(15)21-13)20-12-16(22(2)3)14-7-5-6-8-17(14)24-4/h5-11,16H,12H2,1-4H3,(H,19,20).
What are the key properties of 1-(2-methoxyphenyl)-N,N-dimethyl-N'-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine?
1-(2-methoxyphenyl)-N,N-dimethyl-N'-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine has a molecular weight of 325.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N,N-dimethyl-N'-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 133488403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).