4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one

C10H12N4O — CID 19709722

IUPAC4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one
SMILESCC(=O)CCc1cc(N)n2nccc2n1
InChIInChI=1S/C10H12N4O/c1-7(15)2-3-8-6-9(11)14-10(13-8)4-5-12-14/h4-6H,2-3,11H2,1H3
InChIKeyKQEDNHPXPVFVSW-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.83
Rot. Bonds3

About 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one

4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one (PubChem CID 19709722) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one.

Molecular Properties

Compound Name4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one
PubChem CID19709722
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one
SMILESCC(=O)CCc1cc(N)n2nccc2n1
InChIInChI=1S/C10H12N4O/c1-7(15)2-3-8-6-9(11)14-10(13-8)4-5-12-14/h4-6H,2-3,11H2,1H3
InChIKeyKQEDNHPXPVFVSW-UHFFFAOYSA-N
XLogP0.83
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-Amino-5-n-butylpyrazolo[1,5-a]pyrimidine
CID 19709702
1-(5-Methylpyrazolo[1,5-a]pyrimidin-7-yl)propan-2-one
CID 85843909
(1R*,3R*)-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3-cyclopentanediamine
CID 56915928
trans-(1S,3S)-3-N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
CID 146558380
7-Amino-5-butylpyrazolo[1,5-a]pyrimidin-3-ol
CID 130019492
(7-Amino-5-butylpyrazolo[1,5-a]pyrimidin-3-yl) hydrogen sulfate
CID 154699770
(5-Butylpyrazolo[1,5-a]pyrimidin-7-yl)sulfamic acid
CID 154700102
N-Octyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 12366061
1-(4-Ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one
CID 13011545
N~2~-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-L-isoleucinamide
CID 56894580
1-{2-[(5-Propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl}imidazolidin-2-one
CID 70716886
N-ethyl-1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
CID 70730244

Frequently Asked Questions

What is the IUPAC name of 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one?
The IUPAC name of 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one (CID 19709722) is 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one.
What is the SMILES notation for 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one?
The canonical SMILES for 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one is CC(=O)CCc1cc(N)n2nccc2n1.
What is the InChIKey of 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one?
The InChIKey is KQEDNHPXPVFVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7(15)2-3-8-6-9(11)14-10(13-8)4-5-12-14/h4-6H,2-3,11H2,1H3.
What are the key properties of 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one?
4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one has a molecular weight of 204.23 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one is sourced from PubChem (CID 19709722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).