6-cyclohexyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H19N3O — CID 58825003

IUPAC6-cyclohexyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(C)c(C3CCCCC3)c(=O)n2[nH]1
InChIInChI=1S/C14H19N3O/c1-9-8-12-15-10(2)13(14(18)17(12)16-9)11-6-4-3-5-7-11/h8,11,16H,3-7H2,1-2H3
InChIKeyYTEPLSUHFANGTL-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.69
Rot. Bonds1

About 6-cyclohexyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-cyclohexyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 58825003) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-cyclohexyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-cyclohexyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID58825003
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name6-cyclohexyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(C)c(C3CCCCC3)c(=O)n2[nH]1
InChIInChI=1S/C14H19N3O/c1-9-8-12-15-10(2)13(14(18)17(12)16-9)11-6-4-3-5-7-11/h8,11,16H,3-7H2,1-2H3
InChIKeyYTEPLSUHFANGTL-UHFFFAOYSA-N
XLogP2.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-cyclohexyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 58825003) is 6-cyclohexyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-cyclohexyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-cyclohexyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(C)c(C3CCCCC3)c(=O)n2[nH]1.
What is the InChIKey of 6-cyclohexyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YTEPLSUHFANGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-8-12-15-10(2)13(14(18)17(12)16-9)11-6-4-3-5-7-11/h8,11,16H,3-7H2,1-2H3.
What are the key properties of 6-cyclohexyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-cyclohexyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 245.33 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 58825003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).