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

C13H17N7O — CID 86774097

IUPAC2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol
SMILESCN(Cc1cnn(C)c1)c1ncnc2c1cnn2CCO
InChIInChI=1S/C13H17N7O/c1-18(7-10-5-16-19(2)8-10)12-11-6-17-20(3-4-21)13(11)15-9-14-12/h5-6,8-9,21H,3-4,7H2,1-2H3
InChIKeyUXHXKLJUEGFOKU-UHFFFAOYSA-N
MW287.33 g/mol
LogP0.19
Rot. Bonds5

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

2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol (PubChem CID 86774097) has the molecular formula C13H17N7O and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol
PubChem CID86774097
Molecular FormulaC13H17N7O
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Name2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol
SMILESCN(Cc1cnn(C)c1)c1ncnc2c1cnn2CCO
InChIInChI=1S/C13H17N7O/c1-18(7-10-5-16-19(2)8-10)12-11-6-17-20(3-4-21)13(11)15-9-14-12/h5-6,8-9,21H,3-4,7H2,1-2H3
InChIKeyUXHXKLJUEGFOKU-UHFFFAOYSA-N
XLogP0.19
TPSA84.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol
CID 86774139
6-N,5-diethyl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80799762
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 35790315
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 86776236
[3-fluoro-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-pyridinyl]methanol
CID 105382972
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 167919498
3-bromo-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 79532541
methyl 2-[4-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrazolo[5,4-d]pyrimidin-1-yl]acetate
CID 133431118
(2R)-1-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]propan-2-ol
CID 95136191
[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-pyridinyl]methanol
CID 61442010
5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 80630281
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-3-carbothioamide
CID 61442220

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol?
The IUPAC name of 2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol (CID 86774097) is 2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol is CN(Cc1cnn(C)c1)c1ncnc2c1cnn2CCO.
What is the InChIKey of 2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol?
The InChIKey is UXHXKLJUEGFOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O/c1-18(7-10-5-16-19(2)8-10)12-11-6-17-20(3-4-21)13(11)15-9-14-12/h5-6,8-9,21H,3-4,7H2,1-2H3.
What are the key properties of 2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol?
2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol has a molecular weight of 287.33 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol is sourced from PubChem (CID 86774097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).