5-[1-(3-methylcyclopentyl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H19N3O — CID 70806377

IUPAC5-[1-(3-methylcyclopentyl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC1CCC(C(C)c2cc(=O)n3[nH]ccc3n2)C1
InChIInChI=1S/C14H19N3O/c1-9-3-4-11(7-9)10(2)12-8-14(18)17-13(16-12)5-6-15-17/h5-6,8-11,15H,3-4,7H2,1-2H3
InChIKeyDVCZOYNSVMNDND-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.56
Rot. Bonds2

About 5-[1-(3-methylcyclopentyl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[1-(3-methylcyclopentyl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70806377) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-[1-(3-methylcyclopentyl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[1-(3-methylcyclopentyl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70806377
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-[1-(3-methylcyclopentyl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC1CCC(C(C)c2cc(=O)n3[nH]ccc3n2)C1
InChIInChI=1S/C14H19N3O/c1-9-3-4-11(7-9)10(2)12-8-14(18)17-13(16-12)5-6-15-17/h5-6,8-11,15H,3-4,7H2,1-2H3
InChIKeyDVCZOYNSVMNDND-UHFFFAOYSA-N
XLogP2.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[1-(3-methylcyclopentyl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-methylcyclopentyl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[1-(3-methylcyclopentyl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70806377) is 5-[1-(3-methylcyclopentyl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[1-(3-methylcyclopentyl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[1-(3-methylcyclopentyl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC1CCC(C(C)c2cc(=O)n3[nH]ccc3n2)C1.
What is the InChIKey of 5-[1-(3-methylcyclopentyl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DVCZOYNSVMNDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-3-4-11(7-9)10(2)12-8-14(18)17-13(16-12)5-6-15-17/h5-6,8-11,15H,3-4,7H2,1-2H3.
What are the key properties of 5-[1-(3-methylcyclopentyl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[1-(3-methylcyclopentyl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 245.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-methylcyclopentyl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70806377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).