N-[2-(2-fluorophenoxy)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine

C17H19FN4O — CID 133492586

IUPACN-[2-(2-fluorophenoxy)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCCC(CNc1nccn2nc(C)cc12)Oc1ccccc1F
InChIInChI=1S/C17H19FN4O/c1-3-13(23-16-7-5-4-6-14(16)18)11-20-17-15-10-12(2)21-22(15)9-8-19-17/h4-10,13H,3,11H2,1-2H3,(H,19,20)
InChIKeyUKQLWKHTEXXXKM-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.45
Rot. Bonds6

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

N-[2-(2-fluorophenoxy)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 133492586) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID133492586
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC NameN-[2-(2-fluorophenoxy)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCCC(CNc1nccn2nc(C)cc12)Oc1ccccc1F
InChIInChI=1S/C17H19FN4O/c1-3-13(23-16-7-5-4-6-14(16)18)11-20-17-15-10-12(2)21-22(15)9-8-19-17/h4-10,13H,3,11H2,1-2H3,(H,19,20)
InChIKeyUKQLWKHTEXXXKM-UHFFFAOYSA-N
XLogP3.45
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethanol
CID 133489553
1-(2-methoxyphenyl)-N,N-dimethyl-N'-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine
CID 133488403
N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 133492066
N-(2,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731637
3-amino-4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-2-ol
CID 104732599
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
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-[2-(2-fluorophenoxy)butyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 71978654
N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 113446460
7-chloro-N-[2-(2-fluorophenoxy)butyl]quinolin-4-amine
CID 166376547

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-[2-(2-fluorophenoxy)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine (CID 133492586) is N-[2-(2-fluorophenoxy)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-[2-(2-fluorophenoxy)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-[2-(2-fluorophenoxy)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine is CCC(CNc1nccn2nc(C)cc12)Oc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenoxy)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is UKQLWKHTEXXXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-3-13(23-16-7-5-4-6-14(16)18)11-20-17-15-10-12(2)21-22(15)9-8-19-17/h4-10,13H,3,11H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(2-fluorophenoxy)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
N-[2-(2-fluorophenoxy)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 314.36 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 133492586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).