N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine

C16H17FN4O — CID 133492066

IUPACN-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCOC(CNc1nccn2nc(C)cc12)c1ccc(F)cc1
InChIInChI=1S/C16H17FN4O/c1-11-9-14-16(18-7-8-21(14)20-11)19-10-15(22-2)12-3-5-13(17)6-4-12/h3-9,15H,10H2,1-2H3,(H,18,19)
InChIKeyKBUFLZPSBKMOPX-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.98
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine

N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 133492066) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID133492066
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC NameN-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCOC(CNc1nccn2nc(C)cc12)c1ccc(F)cc1
InChIInChI=1S/C16H17FN4O/c1-11-9-14-16(18-7-8-21(14)20-11)19-10-15(22-2)12-3-5-13(17)6-4-12/h3-9,15H,10H2,1-2H3,(H,18,19)
InChIKeyKBUFLZPSBKMOPX-UHFFFAOYSA-N
XLogP2.98
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731637
1-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,2-diamine
CID 104732536
N-[2-(2-fluorophenoxy)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 133492586
1-(2-methoxyphenyl)-N,N-dimethyl-N'-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine
CID 133488403
1-(2-fluorophenyl)-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethanol
CID 133489553
N-(2-cyclopropylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 113475475
3-amino-4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-2-ol
CID 104732599
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
N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 113446460
N-(4-chlorobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 106845051

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine (CID 133492066) is N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine is COC(CNc1nccn2nc(C)cc12)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is KBUFLZPSBKMOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-11-9-14-16(18-7-8-21(14)20-11)19-10-15(22-2)12-3-5-13(17)6-4-12/h3-9,15H,10H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 300.34 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 133492066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).