1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine

C13H17N7 — CID 39893053

IUPAC1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nn(C)c2c(NCCCn3cccn3)ncnc12
InChIInChI=1S/C13H17N7/c1-10-11-12(19(2)18-10)13(16-9-15-11)14-5-3-7-20-8-4-6-17-20/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,15,16)
InChIKeyFSKGVJXYVLLZQH-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.37
Rot. Bonds5

About 1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine

1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 39893053) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is 1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID39893053
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nn(C)c2c(NCCCn3cccn3)ncnc12
InChIInChI=1S/C13H17N7/c1-10-11-12(19(2)18-10)13(16-9-15-11)14-5-3-7-20-8-4-6-17-20/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,15,16)
InChIKeyFSKGVJXYVLLZQH-UHFFFAOYSA-N
XLogP1.37
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine (CID 39893053) is 1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine is Cc1nn(C)c2c(NCCCn3cccn3)ncnc12.
What is the InChIKey of 1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is FSKGVJXYVLLZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7/c1-10-11-12(19(2)18-10)13(16-9-15-11)14-5-3-7-20-8-4-6-17-20/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,15,16).
What are the key properties of 1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine?
1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 271.33 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 39893053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).