1-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine

C20H23N7 — CID 133331840

IUPAC1-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(Nc1ncnc2c1cnn2-c1ccccc1)c1c(C)nn(C)c1C
InChIInChI=1S/C20H23N7/c1-5-17(18-13(2)25-26(4)14(18)3)24-19-16-11-23-27(20(16)22-12-21-19)15-9-7-6-8-10-15/h6-12,17H,5H2,1-4H3,(H,21,22,24)
InChIKeyQTKPIAUCZDWXEO-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.73
Rot. Bonds5

About 1-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 133331840) has the molecular formula C20H23N7 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID133331840
Molecular FormulaC20H23N7
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC Name1-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(Nc1ncnc2c1cnn2-c1ccccc1)c1c(C)nn(C)c1C
InChIInChI=1S/C20H23N7/c1-5-17(18-13(2)25-26(4)14(18)3)24-19-16-11-23-27(20(16)22-12-21-19)15-9-7-6-8-10-15/h6-12,17H,5H2,1-4H3,(H,21,22,24)
InChIKeyQTKPIAUCZDWXEO-UHFFFAOYSA-N
XLogP3.73
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

(2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
CID 866509
(2R)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
CID 866510
2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730689
1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 57196440
3-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butane-1,3-diamine
CID 83179391
1-methyl-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 124612343
N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228
(2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid
CID 122050233
1-(4-bromophenyl)-N-butan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110432137
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133378084
2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43235572
N-[(2R)-butan-2-yl]-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 51476762

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 133331840) is 1-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine is CCC(Nc1ncnc2c1cnn2-c1ccccc1)c1c(C)nn(C)c1C.
What is the InChIKey of 1-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QTKPIAUCZDWXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7/c1-5-17(18-13(2)25-26(4)14(18)3)24-19-16-11-23-27(20(16)22-12-21-19)15-9-7-6-8-10-15/h6-12,17H,5H2,1-4H3,(H,21,22,24).
What are the key properties of 1-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 361.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133331840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).