2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one

C12H11N3O — CID 137103510

IUPAC2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCCc1cc2[nH]c(=O)c3ccccc3n2n1
InChIInChI=1S/C12H11N3O/c1-2-8-7-11-13-12(16)9-5-3-4-6-10(9)15(11)14-8/h3-7H,2H2,1H3,(H,13,16)
InChIKeySYIPUYVBJNYZQU-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.74
Rot. Bonds1

About 2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one

2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 137103510) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID137103510
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCCc1cc2[nH]c(=O)c3ccccc3n2n1
InChIInChI=1S/C12H11N3O/c1-2-8-7-11-13-12(16)9-5-3-4-6-10(9)15(11)14-8/h3-7H,2H2,1H3,(H,13,16)
InChIKeySYIPUYVBJNYZQU-UHFFFAOYSA-N
XLogP1.74
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 137103510) is 2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one is CCc1cc2[nH]c(=O)c3ccccc3n2n1.
What is the InChIKey of 2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is SYIPUYVBJNYZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-2-8-7-11-13-12(16)9-5-3-4-6-10(9)15(11)14-8/h3-7H,2H2,1H3,(H,13,16).
What are the key properties of 2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one?
2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 213.24 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 137103510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).