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

C12H18N4O — CID 82271088

IUPAC5-(1-aminoethyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(N)c1cc(=O)n2[nH]c(C(C)(C)C)cc2n1
InChIInChI=1S/C12H18N4O/c1-7(13)8-5-11(17)16-10(14-8)6-9(15-16)12(2,3)4/h5-7,15H,13H2,1-4H3
InChIKeyBIQGFMZLIDDTSI-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.34
Rot. Bonds1

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

5-(1-aminoethyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82271088) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-(1-aminoethyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(1-aminoethyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82271088
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name5-(1-aminoethyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(N)c1cc(=O)n2[nH]c(C(C)(C)C)cc2n1
InChIInChI=1S/C12H18N4O/c1-7(13)8-5-11(17)16-10(14-8)6-9(15-16)12(2,3)4/h5-7,15H,13H2,1-4H3
InChIKeyBIQGFMZLIDDTSI-UHFFFAOYSA-N
XLogP1.34
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(1-aminoethyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 104621412
5-(1-aminoethyl)-2-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271091
5-(3-aminopropyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271057
2-(2-tert-butyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271556
2-tert-butyl-5-[1-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110224337
(3S)-N-[(1R)-1-(2-tert-butyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 98075727
3,3-dimethyl-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]butanamide
CID 92555688
2-tert-butyl-6-(2-chloroethyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271773
7-tert-butyl-2-(2-methylbutyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 165478556
5-tert-butyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 113433914
6-tert-butyl-3-[1-(sulfinoamino)ethyl]-5H-pyrazolo[5,1-c][1,2,4]triazole
CID 71162910
2-(2,2-dimethylpropyl)-7-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 165469851

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(1-aminoethyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82271088) is 5-(1-aminoethyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(1-aminoethyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(1-aminoethyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC(N)c1cc(=O)n2[nH]c(C(C)(C)C)cc2n1.
What is the InChIKey of 5-(1-aminoethyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BIQGFMZLIDDTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-7(13)8-5-11(17)16-10(14-8)6-9(15-16)12(2,3)4/h5-7,15H,13H2,1-4H3.
What are the key properties of 5-(1-aminoethyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(1-aminoethyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 234.30 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82271088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).