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

C15H21N7 — CID 39893640

IUPAC5-ethyl-1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCc1nc(NCCCn2cccn2)c2c(n1)c(C)nn2C
InChIInChI=1S/C15H21N7/c1-4-12-18-13-11(2)20-21(3)14(13)15(19-12)16-7-5-9-22-10-6-8-17-22/h6,8,10H,4-5,7,9H2,1-3H3,(H,16,18,19)
InChIKeyDZWVVEUYSBNZQB-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.93
Rot. Bonds6

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

5-ethyl-1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 39893640) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-ethyl-1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID39893640
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name5-ethyl-1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCc1nc(NCCCn2cccn2)c2c(n1)c(C)nn2C
InChIInChI=1S/C15H21N7/c1-4-12-18-13-11(2)20-21(3)14(13)15(19-12)16-7-5-9-22-10-6-8-17-22/h6,8,10H,4-5,7,9H2,1-3H3,(H,16,18,19)
InChIKeyDZWVVEUYSBNZQB-UHFFFAOYSA-N
XLogP1.93
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.93
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 5-ethyl-1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine (CID 39893640) is 5-ethyl-1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine is CCc1nc(NCCCn2cccn2)c2c(n1)c(C)nn2C.
What is the InChIKey of 5-ethyl-1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is DZWVVEUYSBNZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7/c1-4-12-18-13-11(2)20-21(3)14(13)15(19-12)16-7-5-9-22-10-6-8-17-22/h6,8,10H,4-5,7,9H2,1-3H3,(H,16,18,19).
What are the key properties of 5-ethyl-1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine?
5-ethyl-1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 299.38 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 39893640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).