5-cyclopentyl-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C13H17N3O — CID 113433939

IUPAC5-cyclopentyl-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c[nH]n2c(=O)cc(C3CCCC3)nc12
InChIInChI=1S/C13H17N3O/c1-2-9-8-14-16-12(17)7-11(15-13(9)16)10-5-3-4-6-10/h7-8,10,14H,2-6H2,1H3
InChIKeyRMIGOBKNAXKPHD-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.24
Rot. Bonds2

About 5-cyclopentyl-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-cyclopentyl-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 113433939) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-cyclopentyl-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-cyclopentyl-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID113433939
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-cyclopentyl-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c[nH]n2c(=O)cc(C3CCCC3)nc12
InChIInChI=1S/C13H17N3O/c1-2-9-8-14-16-12(17)7-11(15-13(9)16)10-5-3-4-6-10/h7-8,10,14H,2-6H2,1H3
InChIKeyRMIGOBKNAXKPHD-UHFFFAOYSA-N
XLogP2.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopentyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 104621505
5-cyclobutyl-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 22308884
5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 83678981
3-chloro-5-piperidin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054586
3-tert-butyl-5-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054544
5-piperidin-3-yl-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054548
5-(2,4-dichlorophenyl)-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 22308919
5-(azepan-4-yl)-3-chloro-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 45168309
N-(4-chlorophenyl)-5-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110089373
3-(aminomethyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82503557
5-(4-cyclohexylphenyl)-3-[(2S)-2-ethylazetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 158883781
4-(7-oxo-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylic acid
CID 121319937

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-cyclopentyl-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 113433939) is 5-cyclopentyl-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-cyclopentyl-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-cyclopentyl-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1c[nH]n2c(=O)cc(C3CCCC3)nc12.
What is the InChIKey of 5-cyclopentyl-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RMIGOBKNAXKPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-9-8-14-16-12(17)7-11(15-13(9)16)10-5-3-4-6-10/h7-8,10,14H,2-6H2,1H3.
What are the key properties of 5-cyclopentyl-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-cyclopentyl-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 231.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 113433939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).