5-cyclobutyl-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C13H17N3O — CID 22308884

IUPAC5-cyclobutyl-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c[nH]n2c(=O)cc(C3CCC3)nc12
InChIInChI=1S/C13H17N3O/c1-8(2)10-7-14-16-12(17)6-11(15-13(10)16)9-4-3-5-9/h6-9,14H,3-5H2,1-2H3
InChIKeyGNSUXVIFAHYHJH-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.41
Rot. Bonds2

About 5-cyclobutyl-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-cyclobutyl-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 22308884) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-cyclobutyl-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-cyclobutyl-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID22308884
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-cyclobutyl-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c[nH]n2c(=O)cc(C3CCC3)nc12
InChIInChI=1S/C13H17N3O/c1-8(2)10-7-14-16-12(17)6-11(15-13(10)16)9-4-3-5-9/h6-9,14H,3-5H2,1-2H3
InChIKeyGNSUXVIFAHYHJH-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-piperidin-3-yl-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054548
5-cyclopentyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 104621505
5-cyclopentyl-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 113433939
3-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054563
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
5-(furan-3-yl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 22308877
5-(2,5-dichlorophenyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 22308864
3-tert-butyl-5-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054544
5-cyclohex-3-en-1-yl-3-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172673795
5-(azepan-4-yl)-3-chloro-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 45168309
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-cyclobutyl-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-cyclobutyl-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 22308884) is 5-cyclobutyl-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-cyclobutyl-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-cyclobutyl-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC(C)c1c[nH]n2c(=O)cc(C3CCC3)nc12.
What is the InChIKey of 5-cyclobutyl-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GNSUXVIFAHYHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8(2)10-7-14-16-12(17)6-11(15-13(10)16)9-4-3-5-9/h6-9,14H,3-5H2,1-2H3.
What are the key properties of 5-cyclobutyl-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-cyclobutyl-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 231.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 22308884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).