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

C16H16F2N4O — CID 164786297

IUPACN-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(Nc1ccn2nccc2n1)c1ccccc1OCC(F)F
InChIInChI=1S/C16H16F2N4O/c1-11(12-4-2-3-5-13(12)23-10-14(17)18)20-15-7-9-22-16(21-15)6-8-19-22/h2-9,11,14H,10H2,1H3,(H,20,21)
InChIKeyZEVGMZOIRQJGSG-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.55
Rot. Bonds6

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

N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 164786297) has the molecular formula C16H16F2N4O and a molecular weight of 318.33 g/mol. Its IUPAC name is N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID164786297
Molecular FormulaC16H16F2N4O
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC NameN-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(Nc1ccn2nccc2n1)c1ccccc1OCC(F)F
InChIInChI=1S/C16H16F2N4O/c1-11(12-4-2-3-5-13(12)23-10-14(17)18)20-15-7-9-22-16(21-15)6-8-19-22/h2-9,11,14H,10H2,1H3,(H,20,21)
InChIKeyZEVGMZOIRQJGSG-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 155668392
N-[1-(5-fluoro-2-propoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 155135409
N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 165066506
N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine
CID 155135728
N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 165066504
N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 113296727
N-[1-(4-fluorophenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372544
N-(3-methoxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372504
5-[[(1R)-1-[5-fluoro-2-[(2R)-2-hydroxypropoxy]phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 152501893
2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pentanoic acid
CID 115372015
4-fluoro-2-[(1R)-1-(pyrazolo[1,5-a]pyrimidin-5-ylamino)ethyl]phenol;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 165016154
N-[1-(2-ethoxy-5-fluorophenyl)ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine
CID 155135605

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 164786297) is N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine is CC(Nc1ccn2nccc2n1)c1ccccc1OCC(F)F.
What is the InChIKey of N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is ZEVGMZOIRQJGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O/c1-11(12-4-2-3-5-13(12)23-10-14(17)18)20-15-7-9-22-16(21-15)6-8-19-22/h2-9,11,14H,10H2,1H3,(H,20,21).
What are the key properties of N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 318.33 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 164786297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).