5-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]pentanamide

C15H23N5O — CID 106233305

IUPAC5-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]pentanamide
SMILESCc1cc2ncc(C(C)NCCCCC(N)=O)c(C)n2n1
InChIInChI=1S/C15H23N5O/c1-10-8-15-18-9-13(12(3)20(15)19-10)11(2)17-7-5-4-6-14(16)21/h8-9,11,17H,4-7H2,1-3H3,(H2,16,21)
InChIKeyOHXNDGANRMEMBV-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.65
Rot. Bonds7

About 5-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]pentanamide

5-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]pentanamide (PubChem CID 106233305) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]pentanamide.

Molecular Properties

Compound Name5-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]pentanamide
PubChem CID106233305
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name5-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]pentanamide
SMILESCc1cc2ncc(C(C)NCCCCC(N)=O)c(C)n2n1
InChIInChI=1S/C15H23N5O/c1-10-8-15-18-9-13(12(3)20(15)19-10)11(2)17-7-5-4-6-14(16)21/h8-9,11,17H,4-7H2,1-3H3,(H2,16,21)
InChIKeyOHXNDGANRMEMBV-UHFFFAOYSA-N
XLogP1.65
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]pentanamide?
The IUPAC name of 5-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]pentanamide (CID 106233305) is 5-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]pentanamide.
What is the SMILES notation for 5-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]pentanamide?
The canonical SMILES for 5-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]pentanamide is Cc1cc2ncc(C(C)NCCCCC(N)=O)c(C)n2n1.
What is the InChIKey of 5-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]pentanamide?
The InChIKey is OHXNDGANRMEMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-10-8-15-18-9-13(12(3)20(15)19-10)11(2)17-7-5-4-6-14(16)21/h8-9,11,17H,4-7H2,1-3H3,(H2,16,21).
What are the key properties of 5-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]pentanamide?
5-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]pentanamide has a molecular weight of 289.38 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]pentanamide is sourced from PubChem (CID 106233305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).