3-[5-amino-1-(7H-purin-6-yl)pyrazol-4-yl]propan-1-ol

C11H13N7O — CID 63376957

IUPAC3-[5-amino-1-(7H-purin-6-yl)pyrazol-4-yl]propan-1-ol
SMILESNc1c(CCCO)cnn1-c1ncnc2nc[nH]c12
InChIInChI=1S/C11H13N7O/c12-9-7(2-1-3-19)4-17-18(9)11-8-10(14-5-13-8)15-6-16-11/h4-6,19H,1-3,12H2,(H,13,14,15,16)
InChIKeyMPMFSCYUKHJYAP-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.05
Rot. Bonds4

About 3-[5-amino-1-(7H-purin-6-yl)pyrazol-4-yl]propan-1-ol

3-[5-amino-1-(7H-purin-6-yl)pyrazol-4-yl]propan-1-ol (PubChem CID 63376957) has the molecular formula C11H13N7O and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-[5-amino-1-(7H-purin-6-yl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-amino-1-(7H-purin-6-yl)pyrazol-4-yl]propan-1-ol
PubChem CID63376957
Molecular FormulaC11H13N7O
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name3-[5-amino-1-(7H-purin-6-yl)pyrazol-4-yl]propan-1-ol
SMILESNc1c(CCCO)cnn1-c1ncnc2nc[nH]c12
InChIInChI=1S/C11H13N7O/c12-9-7(2-1-3-19)4-17-18(9)11-8-10(14-5-13-8)15-6-16-11/h4-6,19H,1-3,12H2,(H,13,14,15,16)
InChIKeyMPMFSCYUKHJYAP-UHFFFAOYSA-N
XLogP0.05
TPSA118.53 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 ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-amino-1-pyridin-4-ylpyrazol-4-yl)propan-1-ol
CID 63376804
3-(5-amino-1-pyrimidin-4-ylpyrazol-4-yl)propan-1-ol
CID 79816597
2-(7H-purin-6-yl)ethanol
CID 53402024
2-(7H-purin-6-yl)-4,5,6,7-tetrahydroindazol-3-amine
CID 65348934
3-[3,5-dimethyl-1-(7H-purin-6-yl)pyrazol-4-yl]propan-1-amine
CID 79225436
5-methyl-1-(7H-purin-6-yl)pyrazol-3-amine
CID 62677725
5-methyl-1-(7H-purin-6-yl)-1,2,4-triazol-3-amine
CID 79521441
3-[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]propan-1-ol
CID 63376503
6-(7H-purin-6-ylsulfanyl)hexan-1-ol
CID 103736339
methanol;7H-purin-6-amine
CID 67194832
[5-(7H-purin-6-yl)pyrimidin-2-yl]methanamine
CID 96602690
7H-purin-6-amine;hydrochloride
CID 169432832

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-1-(7H-purin-6-yl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 3-[5-amino-1-(7H-purin-6-yl)pyrazol-4-yl]propan-1-ol (CID 63376957) is 3-[5-amino-1-(7H-purin-6-yl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[5-amino-1-(7H-purin-6-yl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[5-amino-1-(7H-purin-6-yl)pyrazol-4-yl]propan-1-ol is Nc1c(CCCO)cnn1-c1ncnc2nc[nH]c12.
What is the InChIKey of 3-[5-amino-1-(7H-purin-6-yl)pyrazol-4-yl]propan-1-ol?
The InChIKey is MPMFSCYUKHJYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O/c12-9-7(2-1-3-19)4-17-18(9)11-8-10(14-5-13-8)15-6-16-11/h4-6,19H,1-3,12H2,(H,13,14,15,16).
What are the key properties of 3-[5-amino-1-(7H-purin-6-yl)pyrazol-4-yl]propan-1-ol?
3-[5-amino-1-(7H-purin-6-yl)pyrazol-4-yl]propan-1-ol has a molecular weight of 259.27 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-1-(7H-purin-6-yl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 63376957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).