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

C11H13N7O — CID 133323419

IUPAC1-(1-methylpyrazol-4-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanol
SMILESCn1cc(C(O)CNc2ncnc3[nH]ncc23)cn1
InChIInChI=1S/C11H13N7O/c1-18-5-7(2-16-18)9(19)4-12-10-8-3-15-17-11(8)14-6-13-10/h2-3,5-6,9,19H,4H2,1H3,(H2,12,13,14,15,17)
InChIKeyPBOJKKHUJKDAET-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.23
Rot. Bonds4

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

1-(1-methylpyrazol-4-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanol (PubChem CID 133323419) has the molecular formula C11H13N7O and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanol.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanol
PubChem CID133323419
Molecular FormulaC11H13N7O
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name1-(1-methylpyrazol-4-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanol
SMILESCn1cc(C(O)CNc2ncnc3[nH]ncc23)cn1
InChIInChI=1S/C11H13N7O/c1-18-5-7(2-16-18)9(19)4-12-10-8-3-15-17-11(8)14-6-13-10/h2-3,5-6,9,19H,4H2,1H3,(H2,12,13,14,15,17)
InChIKeyPBOJKKHUJKDAET-UHFFFAOYSA-N
XLogP0.23
TPSA104.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 16627027
[(1-methylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230377
(1R)-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol
CID 97318496
2-[(3-chloro-5-nitro-2-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)ethanol
CID 133323518
1-(1-methylpyrazol-4-yl)-2-[(3-nitro-2-pyridinyl)amino]ethanol
CID 133323532
1-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 133323484
N-(2-fluoroethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 131102033
2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(1-methylpyrazol-4-yl)ethanol
CID 133323673
2-(hexan-3-ylamino)-1-(1-methylpyrazol-4-yl)ethanol
CID 115905958
N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 118317173
1-(1-methylpyrazol-4-yl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]ethanol
CID 133323500
3,4,4-trimethyl-1-(1-methylpyrazol-4-yl)pentan-1-ol
CID 114981879

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanol?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanol (CID 133323419) is 1-(1-methylpyrazol-4-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanol.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanol?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanol is Cn1cc(C(O)CNc2ncnc3[nH]ncc23)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanol?
The InChIKey is PBOJKKHUJKDAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O/c1-18-5-7(2-16-18)9(19)4-12-10-8-3-15-17-11(8)14-6-13-10/h2-3,5-6,9,19H,4H2,1H3,(H2,12,13,14,15,17).
What are the key properties of 1-(1-methylpyrazol-4-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanol?
1-(1-methylpyrazol-4-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanol has a molecular weight of 259.27 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanol is sourced from PubChem (CID 133323419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).