N-ethyl-1-phenyl-N-(3,3,3-trifluoropropyl)pyrazolo[5,4-d]pyrimidin-4-amine

C16H16F3N5 — CID 133279240

IUPACN-ethyl-1-phenyl-N-(3,3,3-trifluoropropyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCN(CCC(F)(F)F)c1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C16H16F3N5/c1-2-23(9-8-16(17,18)19)14-13-10-22-24(15(13)21-11-20-14)12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3
InChIKeyQGLIOHXNQYSHTA-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.59
Rot. Bonds5

About N-ethyl-1-phenyl-N-(3,3,3-trifluoropropyl)pyrazolo[5,4-d]pyrimidin-4-amine

N-ethyl-1-phenyl-N-(3,3,3-trifluoropropyl)pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 133279240) has the molecular formula C16H16F3N5 and a molecular weight of 335.33 g/mol. Its IUPAC name is N-ethyl-1-phenyl-N-(3,3,3-trifluoropropyl)pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-phenyl-N-(3,3,3-trifluoropropyl)pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID133279240
Molecular FormulaC16H16F3N5
Molecular Weight335.33 g/mol
Exact Mass335.14
IUPAC NameN-ethyl-1-phenyl-N-(3,3,3-trifluoropropyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCN(CCC(F)(F)F)c1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C16H16F3N5/c1-2-23(9-8-16(17,18)19)14-13-10-22-24(15(13)21-11-20-14)12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3
InChIKeyQGLIOHXNQYSHTA-UHFFFAOYSA-N
XLogP3.59
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 7205366
N-(2-cyclopropylethyl)-N-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-amine
CID 133398554
N-methyl-1-phenyl-N-phenylmethoxypyrazolo[5,4-d]pyrimidin-4-amine
CID 133423276
N,N-dibenzyl-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 5189840
1-(3,5-dimethylphenyl)-N-ethyl-N-phenylpyrazolo[5,4-d]pyrimidin-4-amine
CID 17017634
2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
CID 866541
N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 78878674
N,N-diethyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 862680
N-benzyl-1-(2,5-dimethylphenyl)-N-ethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 17017316
N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-amine
CID 133308530
1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine
CID 63197828

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-phenyl-N-(3,3,3-trifluoropropyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-1-phenyl-N-(3,3,3-trifluoropropyl)pyrazolo[5,4-d]pyrimidin-4-amine (CID 133279240) is N-ethyl-1-phenyl-N-(3,3,3-trifluoropropyl)pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-1-phenyl-N-(3,3,3-trifluoropropyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-1-phenyl-N-(3,3,3-trifluoropropyl)pyrazolo[5,4-d]pyrimidin-4-amine is CCN(CCC(F)(F)F)c1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of N-ethyl-1-phenyl-N-(3,3,3-trifluoropropyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is QGLIOHXNQYSHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5/c1-2-23(9-8-16(17,18)19)14-13-10-22-24(15(13)21-11-20-14)12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3.
What are the key properties of N-ethyl-1-phenyl-N-(3,3,3-trifluoropropyl)pyrazolo[5,4-d]pyrimidin-4-amine?
N-ethyl-1-phenyl-N-(3,3,3-trifluoropropyl)pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 335.33 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-phenyl-N-(3,3,3-trifluoropropyl)pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133279240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).