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

C12H15N3O — CID 21035726

IUPAC5-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(C2CCCCC2)nc2cc[nH]n12
InChIInChI=1S/C12H15N3O/c16-12-8-10(9-4-2-1-3-5-9)14-11-6-7-13-15(11)12/h6-9,13H,1-5H2
InChIKeyCZNUNIIUCLCWHM-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.07
Rot. Bonds1

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

5-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 21035726) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID21035726
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(C2CCCCC2)nc2cc[nH]n12
InChIInChI=1S/C12H15N3O/c16-12-8-10(9-4-2-1-3-5-9)14-11-6-7-13-15(11)12/h6-9,13H,1-5H2
InChIKeyCZNUNIIUCLCWHM-UHFFFAOYSA-N
XLogP2.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 21035726) is 5-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(C2CCCCC2)nc2cc[nH]n12.
What is the InChIKey of 5-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CZNUNIIUCLCWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-12-8-10(9-4-2-1-3-5-9)14-11-6-7-13-15(11)12/h6-9,13H,1-5H2.
What are the key properties of 5-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 217.27 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 21035726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).