5-(3-aminopropyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C13H20N4O — CID 82271057

IUPAC5-(3-aminopropyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)(C)c1cc2nc(CCCN)cc(=O)n2[nH]1
InChIInChI=1S/C13H20N4O/c1-13(2,3)10-8-11-15-9(5-4-6-14)7-12(18)17(11)16-10/h7-8,16H,4-6,14H2,1-3H3
InChIKeyKEZCJPOOBOLVHB-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.21
Rot. Bonds3

About 5-(3-aminopropyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(3-aminopropyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82271057) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-(3-aminopropyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82271057
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-(3-aminopropyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)(C)c1cc2nc(CCCN)cc(=O)n2[nH]1
InChIInChI=1S/C13H20N4O/c1-13(2,3)10-8-11-15-9(5-4-6-14)7-12(18)17(11)16-10/h7-8,16H,4-6,14H2,1-3H3
InChIKeyKEZCJPOOBOLVHB-UHFFFAOYSA-N
XLogP1.21
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-aminopropyl)-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271062
2-(2-tert-butyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271556
5-(3-aminopropyl)-2-cyclopentyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271064
5-(1-aminoethyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271088
2-tert-butyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 104621412
5-(2-aminoethyl)-2-tert-butyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 115040817
2-tert-butyl-6-(2-chloroethyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271773
5-tert-butyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 113433914
5-(2-aminoethyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 115025129
5-[2-(2,3-difluorophenyl)ethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 66856695
2-tert-butyl-5-[1-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110224337
2-(4-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 652947

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(3-aminopropyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82271057) is 5-(3-aminopropyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(3-aminopropyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(3-aminopropyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC(C)(C)c1cc2nc(CCCN)cc(=O)n2[nH]1.
What is the InChIKey of 5-(3-aminopropyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KEZCJPOOBOLVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-13(2,3)10-8-11-15-9(5-4-6-14)7-12(18)17(11)16-10/h7-8,16H,4-6,14H2,1-3H3.
What are the key properties of 5-(3-aminopropyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(3-aminopropyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 248.33 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82271057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).