N-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C13H12FN5 — CID 63022609

IUPACN-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1ncnc2c1cnn2-c1cccc(F)c1
InChIInChI=1S/C13H12FN5/c1-2-15-12-11-7-18-19(13(11)17-8-16-12)10-5-3-4-9(14)6-10/h3-8H,2H2,1H3,(H,15,16,17)
InChIKeyOFAFBMURWSKNGW-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.39
Rot. Bonds3

About N-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

N-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63022609) has the molecular formula C13H12FN5 and a molecular weight of 257.27 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63022609
Molecular FormulaC13H12FN5
Molecular Weight257.27 g/mol
Exact Mass257.11
IUPAC NameN-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1ncnc2c1cnn2-c1cccc(F)c1
InChIInChI=1S/C13H12FN5/c1-2-15-12-11-7-18-19(13(11)17-8-16-12)10-5-3-4-9(14)6-10/h3-8H,2H2,1H3,(H,15,16,17)
InChIKeyOFAFBMURWSKNGW-UHFFFAOYSA-N
XLogP2.39
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 63022609) is N-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCNc1ncnc2c1cnn2-c1cccc(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OFAFBMURWSKNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5/c1-2-15-12-11-7-18-19(13(11)17-8-16-12)10-5-3-4-9(14)6-10/h3-8H,2H2,1H3,(H,15,16,17).
What are the key properties of N-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 257.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63022609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).