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

C12H14N4O — CID 66733850

IUPAC4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexan-1-one
SMILESNc1cc(C2CCC(=O)CC2)nc2ccnn12
InChIInChI=1S/C12H14N4O/c13-11-7-10(8-1-3-9(17)4-2-8)15-12-5-6-14-16(11)12/h5-8H,1-4,13H2
InChIKeyIMWLLBAFSFXIBI-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.54
Rot. Bonds1

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

4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexan-1-one (PubChem CID 66733850) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexan-1-one
PubChem CID66733850
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexan-1-one
SMILESNc1cc(C2CCC(=O)CC2)nc2ccnn12
InChIInChI=1S/C12H14N4O/c13-11-7-10(8-1-3-9(17)4-2-8)15-12-5-6-14-16(11)12/h5-8H,1-4,13H2
InChIKeyIMWLLBAFSFXIBI-UHFFFAOYSA-N
XLogP1.54
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexan-1-one?
The IUPAC name of 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexan-1-one (CID 66733850) is 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexan-1-one?
The canonical SMILES for 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexan-1-one is Nc1cc(C2CCC(=O)CC2)nc2ccnn12.
What is the InChIKey of 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexan-1-one?
The InChIKey is IMWLLBAFSFXIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-11-7-10(8-1-3-9(17)4-2-8)15-12-5-6-14-16(11)12/h5-8H,1-4,13H2.
What are the key properties of 4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexan-1-one?
4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexan-1-one has a molecular weight of 230.27 g/mol, XLogP of 1.54, 1 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)cyclohexan-1-one is sourced from PubChem (CID 66733850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).