3,5-diethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C10H13N3O — CID 10750235

IUPAC3,5-diethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]cc(CC)c2n1
InChIInChI=1S/C10H13N3O/c1-3-7-6-11-13-9(14)5-8(4-2)12-10(7)13/h5-6,11H,3-4H2,1-2H3
InChIKeyFTLAQBIKBKIKJY-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.15
Rot. Bonds2

About 3,5-diethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3,5-diethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 10750235) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3,5-diethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3,5-diethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID10750235
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3,5-diethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]cc(CC)c2n1
InChIInChI=1S/C10H13N3O/c1-3-7-6-11-13-9(14)5-8(4-2)12-10(7)13/h5-6,11H,3-4H2,1-2H3
InChIKeyFTLAQBIKBKIKJY-UHFFFAOYSA-N
XLogP1.15
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3,5-diethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 10750235) is 3,5-diethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3,5-diethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3,5-diethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1cc(=O)n2[nH]cc(CC)c2n1.
What is the InChIKey of 3,5-diethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FTLAQBIKBKIKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-3-7-6-11-13-9(14)5-8(4-2)12-10(7)13/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 3,5-diethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3,5-diethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 191.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 10750235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).