N-[(1R)-1-(2,4-difluorophenyl)ethyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine

C16H16F2N4 — CID 95870096

IUPACN-[(1R)-1-(2,4-difluorophenyl)ethyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(N[C@H](C)c2ccc(F)cc2F)n2nccc2n1
InChIInChI=1S/C16H16F2N4/c1-3-12-9-16(22-15(21-12)6-7-19-22)20-10(2)13-5-4-11(17)8-14(13)18/h4-10,20H,3H2,1-2H3/t10-/m1/s1
InChIKeyVWCYYPWZFMIGTE-SNVBAGLBSA-N
MW302.33 g/mol
LogP3.74
Rot. Bonds4

About N-[(1R)-1-(2,4-difluorophenyl)ethyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine

N-[(1R)-1-(2,4-difluorophenyl)ethyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95870096) has the molecular formula C16H16F2N4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95870096
Molecular FormulaC16H16F2N4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(N[C@H](C)c2ccc(F)cc2F)n2nccc2n1
InChIInChI=1S/C16H16F2N4/c1-3-12-9-16(22-15(21-12)6-7-19-22)20-10(2)13-5-4-11(17)8-14(13)18/h4-10,20H,3H2,1-2H3/t10-/m1/s1
InChIKeyVWCYYPWZFMIGTE-SNVBAGLBSA-N
XLogP3.74
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 95870096) is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine is CCc1cc(N[C@H](C)c2ccc(F)cc2F)n2nccc2n1.
What is the InChIKey of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VWCYYPWZFMIGTE-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16F2N4/c1-3-12-9-16(22-15(21-12)6-7-19-22)20-10(2)13-5-4-11(17)8-14(13)18/h4-10,20H,3H2,1-2H3/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 302.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95870096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).