N-[2-(4-fluorophenyl)ethyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C16H17FN4O — CID 56892284

IUPACN-[2-(4-fluorophenyl)ethyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(NCCc2ccc(F)cc2)n2nccc2n1
InChIInChI=1S/C16H17FN4O/c1-22-11-14-10-16(21-15(20-14)7-9-19-21)18-8-6-12-2-4-13(17)5-3-12/h2-5,7,9-10,18H,6,8,11H2,1H3
InChIKeyIIIRFSGEXDKGSI-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.67
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

N-[2-(4-fluorophenyl)ethyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56892284) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56892284
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(NCCc2ccc(F)cc2)n2nccc2n1
InChIInChI=1S/C16H17FN4O/c1-22-11-14-10-16(21-15(20-14)7-9-19-21)18-8-6-12-2-4-13(17)5-3-12/h2-5,7,9-10,18H,6,8,11H2,1H3
InChIKeyIIIRFSGEXDKGSI-UHFFFAOYSA-N
XLogP2.67
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2r,3s,5r)-2-(2,5-Difluorophenyl)-5-(7h-Pyrrolo[3',4':3,4]pyrazolo[1,5-A]pyrimidin-8(9h)-Yl)oxan-3-Amine
CID 24951732
[4-[[5-(3-Propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 59186268
3-(4-fluorophenyl)-2,5-dimethyl-N-[3-(morpholin-4-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 647327
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(4,7,8,9,12-pentazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)oxan-3-amine
CID 24798754
N-(1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
CID 127027694
(2R,3S,5R)-5-(11-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 127050132
1-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea
CID 127050189
(2R,3S,5R)-5-(9-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 127050761
(2R,3S,5R)-5-(11-methyl-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 127051045
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(11-methyl-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl)oxan-3-amine
CID 127052289
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 168268870
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 168296228

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 56892284) is N-[2-(4-fluorophenyl)ethyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is COCc1cc(NCCc2ccc(F)cc2)n2nccc2n1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IIIRFSGEXDKGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-22-11-14-10-16(21-15(20-14)7-9-19-21)18-8-6-12-2-4-13(17)5-3-12/h2-5,7,9-10,18H,6,8,11H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-[2-(4-fluorophenyl)ethyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 300.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56892284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).