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

C14H20N4O — CID 82271091

IUPAC5-(1-aminoethyl)-2-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(N)c1cc(=O)n2[nH]c(C3CCCCC3)cc2n1
InChIInChI=1S/C14H20N4O/c1-9(15)11-8-14(19)18-13(16-11)7-12(17-18)10-5-3-2-4-6-10/h7-10,17H,2-6,15H2,1H3
InChIKeyCOUCMHACMUGANK-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.09
Rot. Bonds2

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

5-(1-aminoethyl)-2-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82271091) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-(1-aminoethyl)-2-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(1-aminoethyl)-2-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82271091
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-(1-aminoethyl)-2-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(N)c1cc(=O)n2[nH]c(C3CCCCC3)cc2n1
InChIInChI=1S/C14H20N4O/c1-9(15)11-8-14(19)18-13(16-11)7-12(17-18)10-5-3-2-4-6-10/h7-10,17H,2-6,15H2,1H3
InChIKeyCOUCMHACMUGANK-UHFFFAOYSA-N
XLogP2.09
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271147
5-(3-aminopropyl)-2-cyclopentyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271064
4-(1-aminoethyl)-6-cyclopentyl-1H-pyrimidin-2-one
CID 83848472
5-(1-aminoethyl)-2-tert-butyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271088
5-(2-cyclohexylethyl)-2-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172670586
2-cyclopropyl-5-piperidin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054445
N-[1-[2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]pyridine-4-carboxamide
CID 46967924
N-[(1R)-2-methyl-1-[2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]propyl]pyridine-4-carboxamide
CID 98137854
2-methyl-N-[(1S)-1-[2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
CID 98137822
2-cyclobutyl-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270169
5-[(1S)-1-[(2-methoxyphenyl)methylamino]ethyl]-2-(oxan-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98137847
1-(5-cyclohexyl-1H-pyrazol-3-yl)-2-methylpropan-1-amine
CID 83849771

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-2-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(1-aminoethyl)-2-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82271091) is 5-(1-aminoethyl)-2-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(1-aminoethyl)-2-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(1-aminoethyl)-2-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC(N)c1cc(=O)n2[nH]c(C3CCCCC3)cc2n1.
What is the InChIKey of 5-(1-aminoethyl)-2-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is COUCMHACMUGANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9(15)11-8-14(19)18-13(16-11)7-12(17-18)10-5-3-2-4-6-10/h7-10,17H,2-6,15H2,1H3.
What are the key properties of 5-(1-aminoethyl)-2-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(1-aminoethyl)-2-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 260.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-2-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82271091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).