2-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one

C11H13N3O — CID 136773932

IUPAC2-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCc1cc2[nH]c(=O)c3c(n2n1)CCCC3
InChIInChI=1S/C11H13N3O/c1-7-6-10-12-11(15)8-4-2-3-5-9(8)14(10)13-7/h6H,2-5H2,1H3,(H,12,15)
InChIKeyQPVQMKVIFMFXEJ-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.21
Rot. Bonds

About 2-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one

2-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 136773932) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID136773932
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCc1cc2[nH]c(=O)c3c(n2n1)CCCC3
InChIInChI=1S/C11H13N3O/c1-7-6-10-12-11(15)8-4-2-3-5-9(8)14(10)13-7/h6H,2-5H2,1H3,(H,12,15)
InChIKeyQPVQMKVIFMFXEJ-UHFFFAOYSA-N
XLogP1.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 136773932) is 2-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one is Cc1cc2[nH]c(=O)c3c(n2n1)CCCC3.
What is the InChIKey of 2-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is QPVQMKVIFMFXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-6-10-12-11(15)8-4-2-3-5-9(8)14(10)13-7/h6H,2-5H2,1H3,(H,12,15).
What are the key properties of 2-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one?
2-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 203.25 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 136773932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).