2-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol

C18H19N7O — CID 86774139

IUPAC2-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol
SMILESCN(Cc1cnn(-c2ccccc2)c1)c1ncnc2c1cnn2CCO
InChIInChI=1S/C18H19N7O/c1-23(11-14-9-21-25(12-14)15-5-3-2-4-6-15)17-16-10-22-24(7-8-26)18(16)20-13-19-17/h2-6,9-10,12-13,26H,7-8,11H2,1H3
InChIKeyBONSOIYZUCMUPG-UHFFFAOYSA-N
MW349.40 g/mol
LogP1.64
Rot. Bonds6

About 2-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol

2-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol (PubChem CID 86774139) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 2-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol
PubChem CID86774139
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name2-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol
SMILESCN(Cc1cnn(-c2ccccc2)c1)c1ncnc2c1cnn2CCO
InChIInChI=1S/C18H19N7O/c1-23(11-14-9-21-25(12-14)15-5-3-2-4-6-15)17-16-10-22-24(7-8-26)18(16)20-13-19-17/h2-6,9-10,12-13,26H,7-8,11H2,1H3
InChIKeyBONSOIYZUCMUPG-UHFFFAOYSA-N
XLogP1.64
TPSA84.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol with MolForge

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Related Compounds

2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol
CID 86774097
2-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol
CID 86774130
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-amine
CID 133308530
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 51288185
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
1-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]butan-2-ol
CID 111105745
N-methyl-5-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 166366926
N-methyl-1-phenyl-N-phenylmethoxypyrazolo[5,4-d]pyrimidin-4-amine
CID 133423276
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol
CID 47012675
N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 29417377
3-[methyl-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]amino]propan-1-ol
CID 111381422

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol?
The IUPAC name of 2-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol (CID 86774139) is 2-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol is CN(Cc1cnn(-c2ccccc2)c1)c1ncnc2c1cnn2CCO.
What is the InChIKey of 2-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol?
The InChIKey is BONSOIYZUCMUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-23(11-14-9-21-25(12-14)15-5-3-2-4-6-15)17-16-10-22-24(7-8-26)18(16)20-13-19-17/h2-6,9-10,12-13,26H,7-8,11H2,1H3.
What are the key properties of 2-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol?
2-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol has a molecular weight of 349.40 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol is sourced from PubChem (CID 86774139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).