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

C14H19N7 — CID 39893370

IUPAC1,3,5-trimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nc(NCCCn2cccn2)c2c(n1)c(C)nn2C
InChIInChI=1S/C14H19N7/c1-10-12-13(20(3)19-10)14(18-11(2)17-12)15-6-4-8-21-9-5-7-16-21/h5,7,9H,4,6,8H2,1-3H3,(H,15,17,18)
InChIKeyNQDBKZQIIZVIGN-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.68
Rot. Bonds5

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

1,3,5-trimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 39893370) has the molecular formula C14H19N7 and a molecular weight of 285.36 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID39893370
Molecular FormulaC14H19N7
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name1,3,5-trimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nc(NCCCn2cccn2)c2c(n1)c(C)nn2C
InChIInChI=1S/C14H19N7/c1-10-12-13(20(3)19-10)14(18-11(2)17-12)15-6-4-8-21-9-5-7-16-21/h5,7,9H,4,6,8H2,1-3H3,(H,15,17,18)
InChIKeyNQDBKZQIIZVIGN-UHFFFAOYSA-N
XLogP1.68
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.68
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 1,3,5-trimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1,3,5-trimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine (CID 39893370) is 1,3,5-trimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1,3,5-trimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1,3,5-trimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine is Cc1nc(NCCCn2cccn2)c2c(n1)c(C)nn2C.
What is the InChIKey of 1,3,5-trimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is NQDBKZQIIZVIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7/c1-10-12-13(20(3)19-10)14(18-11(2)17-12)15-6-4-8-21-9-5-7-16-21/h5,7,9H,4,6,8H2,1-3H3,(H,15,17,18).
What are the key properties of 1,3,5-trimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine?
1,3,5-trimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 285.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 39893370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).