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5-[2-(2,5-Difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine

HCID 67330670
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1cnn2ccc(N3CCCC3c3cc(F)ccc3F)nc12
InChIKey
PNTNLXBVYHOZQI-UHFFFAOYSA-N
Molecular formula
C16H15F2N5
Average molar mass
315.32 g/mol

Names & identifiers

Preferred name
5-[2-(2,5-Difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine
IUPAC
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine

Names & synonyms

C16H15F2N5SCHEMBL2241166SB180555-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine

Database identifiers

PubChem CID
67330670

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
59.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
23
Formal charge
0
Complexity
425

Related reactions

15 records
New reaction record
HRID 94235 reaction equation
HRID 94235As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 107105 reaction equation
HRID 107105As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 125471 reaction equation
HRID 125471As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 152604 reaction equation
HRID 152604As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 206106 reaction equation
HRID 206106As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 701520 reaction equation
HRID 701520As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 806770 reaction equation
HRID 806770As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 814569 reaction equation
HRID 814569As reactantTest data from https://doi.org/10.1039/C8SC04228D
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Compound notes

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