ethane;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one

C11H17N3O — CID 177158519

IUPACethane;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one
SMILESCC.CC(C)n1c(=O)ccn2nccc12
InChIInChI=1S/C9H11N3O.C2H6/c1-7(2)12-8-3-5-10-11(8)6-4-9(12)13;1-2/h3-7H,1-2H3;1-2H3
InChIKeyOLAINIOQLTXHML-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.10
Rot. Bonds1

About ethane;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one

ethane;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 177158519) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is ethane;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Nameethane;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one
PubChem CID177158519
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Nameethane;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one
SMILESCC.CC(C)n1c(=O)ccn2nccc12
InChIInChI=1S/C9H11N3O.C2H6/c1-7(2)12-8-3-5-10-11(8)6-4-9(12)13;1-2/h3-7H,1-2H3;1-2H3
InChIKeyOLAINIOQLTXHML-UHFFFAOYSA-N
XLogP2.10
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of ethane;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one (CID 177158519) is ethane;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for ethane;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for ethane;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one is CC.CC(C)n1c(=O)ccn2nccc12.
What is the InChIKey of ethane;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is OLAINIOQLTXHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O.C2H6/c1-7(2)12-8-3-5-10-11(8)6-4-9(12)13;1-2/h3-7H,1-2H3;1-2H3.
What are the key properties of ethane;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one?
ethane;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 207.28 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 177158519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).