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

C14H22N4O — CID 82271062

IUPAC5-(3-aminopropyl)-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCC(CC)c1cc2nc(CCCN)cc(=O)n2[nH]1
InChIInChI=1S/C14H22N4O/c1-3-10(4-2)12-9-13-16-11(6-5-7-15)8-14(19)18(13)17-12/h8-10,17H,3-7,15H2,1-2H3
InChIKeyKUTQNLHEARCYBQ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.82
Rot. Bonds6

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

5-(3-aminopropyl)-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82271062) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-(3-aminopropyl)-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82271062
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-(3-aminopropyl)-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCC(CC)c1cc2nc(CCCN)cc(=O)n2[nH]1
InChIInChI=1S/C14H22N4O/c1-3-10(4-2)12-9-13-16-11(6-5-7-15)8-14(19)18(13)17-12/h8-10,17H,3-7,15H2,1-2H3
InChIKeyKUTQNLHEARCYBQ-UHFFFAOYSA-N
XLogP1.82
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-aminopropyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271057
5-(3-aminopropyl)-2-cyclopentyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271064
5-ethyl-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270080
5-(2-aminoethyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 115025129
2-(4-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 652947
2-(4-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 1084420
2-ethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054456
2-(3-aminopropyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455266
5-(2-aminoethyl)-2-tert-butyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 115040817
2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054457
5-[2-(2,3-difluorophenyl)ethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 66856695
2,5-diethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114514224

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(3-aminopropyl)-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82271062) is 5-(3-aminopropyl)-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(3-aminopropyl)-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(3-aminopropyl)-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCC(CC)c1cc2nc(CCCN)cc(=O)n2[nH]1.
What is the InChIKey of 5-(3-aminopropyl)-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KUTQNLHEARCYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-10(4-2)12-9-13-16-11(6-5-7-15)8-14(19)18(13)17-12/h8-10,17H,3-7,15H2,1-2H3.
What are the key properties of 5-(3-aminopropyl)-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(3-aminopropyl)-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 262.36 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82271062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).