1,3-dimethyl-5-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine

C16H23N7 — CID 39893884

IUPAC1,3-dimethyl-5-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nn(C)c2c(NCCCn3cccn3)nc(C(C)C)nc12
InChIInChI=1S/C16H23N7/c1-11(2)15-19-13-12(3)21-22(4)14(13)16(20-15)17-7-5-9-23-10-6-8-18-23/h6,8,10-11H,5,7,9H2,1-4H3,(H,17,19,20)
InChIKeyKDMOWTYJXAGRIW-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.49
Rot. Bonds6

About 1,3-dimethyl-5-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine

1,3-dimethyl-5-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 39893884) has the molecular formula C16H23N7 and a molecular weight of 313.41 g/mol. Its IUPAC name is 1,3-dimethyl-5-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1,3-dimethyl-5-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID39893884
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC Name1,3-dimethyl-5-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nn(C)c2c(NCCCn3cccn3)nc(C(C)C)nc12
InChIInChI=1S/C16H23N7/c1-11(2)15-19-13-12(3)21-22(4)14(13)16(20-15)17-7-5-9-23-10-6-8-18-23/h6,8,10-11H,5,7,9H2,1-4H3,(H,17,19,20)
InChIKeyKDMOWTYJXAGRIW-UHFFFAOYSA-N
XLogP2.49
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.49
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-5-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1,3-dimethyl-5-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine (CID 39893884) is 1,3-dimethyl-5-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1,3-dimethyl-5-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1,3-dimethyl-5-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine is Cc1nn(C)c2c(NCCCn3cccn3)nc(C(C)C)nc12.
What is the InChIKey of 1,3-dimethyl-5-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is KDMOWTYJXAGRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7/c1-11(2)15-19-13-12(3)21-22(4)14(13)16(20-15)17-7-5-9-23-10-6-8-18-23/h6,8,10-11H,5,7,9H2,1-4H3,(H,17,19,20).
What are the key properties of 1,3-dimethyl-5-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine?
1,3-dimethyl-5-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 313.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 39893884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).