N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine

C16H16F2N4O — CID 155668392

IUPACN-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(Nc1ccn2nccc2n1)c1cc(F)ccc1OCCF
InChIInChI=1S/C16H16F2N4O/c1-11(13-10-12(18)2-3-14(13)23-9-6-17)20-15-5-8-22-16(21-15)4-7-19-22/h2-5,7-8,10-11H,6,9H2,1H3,(H,20,21)
InChIKeyGIADUVYBGGEUEP-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.39
Rot. Bonds6

About N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine

N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 155668392) has the molecular formula C16H16F2N4O and a molecular weight of 318.33 g/mol. Its IUPAC name is N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID155668392
Molecular FormulaC16H16F2N4O
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC NameN-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(Nc1ccn2nccc2n1)c1cc(F)ccc1OCCF
InChIInChI=1S/C16H16F2N4O/c1-11(13-10-12(18)2-3-14(13)23-9-6-17)20-15-5-8-22-16(21-15)4-7-19-22/h2-5,7-8,10-11H,6,9H2,1H3,(H,20,21)
InChIKeyGIADUVYBGGEUEP-UHFFFAOYSA-N
XLogP3.39
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-fluoro-2-propoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 155135409
N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 164786297
N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1-propan-2-ylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 165037245
2-[4-fluoro-2-[1-[(3-iodopyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]phenoxy]ethanol
CID 163625527
N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-[1-[fluoro(phosphanyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 170260329
2-[4-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]ethanol
CID 155126803
N-[1-(2-ethoxy-5-fluorophenyl)ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine
CID 155135605
N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanamine;N-[(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[(1R)-1-(pyrazolo[1,5-a]pyrimidin-5-ylamino)ethyl]phenol
CID 165023439
5-N-[1-[2-(2-aminoethoxy)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidine-3,5-diamine;2,2,2-trifluoroacetic acid
CID 175921425
N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine
CID 155135728
N-[1-(4-fluorophenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372544
5-[[(1R)-1-[5-fluoro-2-[(2R)-2-hydroxypropoxy]phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 152501893

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 155668392) is N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine is CC(Nc1ccn2nccc2n1)c1cc(F)ccc1OCCF.
What is the InChIKey of N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is GIADUVYBGGEUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O/c1-11(13-10-12(18)2-3-14(13)23-9-6-17)20-15-5-8-22-16(21-15)4-7-19-22/h2-5,7-8,10-11H,6,9H2,1H3,(H,20,21).
What are the key properties of N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 318.33 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 155668392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).